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Azole

Organische Verbindungen aus fünfgliedrigen heterozyklischen Molekülen, die ein Stickstoffatom und mindestens ein anderes Nichtkohlenstoffatom als Teil des Ringes enthalten.
Imidazole (714)
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1

Thermo Scientific Chemicals Thiazolylblau Tetrazoliumbromid, 98 %

CAS: 298-93-1 Summenformel: C18H16BrN5S Molekulargewicht (g/mol): 414.33 MDL-Nummer: MFCD00011964,MFCD00066662 InChI-Schlüssel: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC-Name: 2-(3,5-Diphenyltetrazol-2-ium-2-yl)-4,5-Dimethyl-1,3-Thiazol;Bromid SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
InChI-Schlüssel AZKSAVLVSZKNRD-UHFFFAOYSA-M
IUPAC-Name 2-(3,5-Diphenyltetrazol-2-ium-2-yl)-4,5-Dimethyl-1,3-Thiazol;Bromid
PubChem CID 64965
CAS 298-93-1
ChEBI CHEBI:53233
MDL-Nummer MFCD00011964,MFCD00066662
Molekulargewicht (g/mol) 414.33
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
Summenformel C18H16BrN5S
2

3,5-Dimethylpyrazol, 99 %, Thermo Scientific Chemicals

CAS: 67-51-6 Summenformel: C5H8N2 Molekulargewicht (g/mol): 96.13 MDL-Nummer: MFCD00005243 InChI-Schlüssel: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC-Name: 3,5-Dimethyl-1H-Pyrazol SMILES: CC1=CC(C)=NN1

EDGE
InChI-Schlüssel SDXAWLJRERMRKF-UHFFFAOYSA-N
IUPAC-Name 3,5-Dimethyl-1H-Pyrazol
PubChem CID 6210
CAS 67-51-6
MDL-Nummer MFCD00005243
Molekulargewicht (g/mol) 96.13
SMILES CC1=CC(C)=NN1
Synonym 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
Summenformel C5H8N2
3

1-Butyl-3-methylimidazolium Hexafluorphosphat, ≥ 98 %, Thermo Scientific Chemicals

CAS: 174501-64-5 Summenformel: C8H15F6N2P Molekulargewicht (g/mol): 284.19 MDL-Nummer: MFCD03093295 InChI-Schlüssel: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

EDGE
InChI-Schlüssel IXQYBUDWDLYNMA-UHFFFAOYSA-N
PubChem CID 2734174
CAS 174501-64-5
MDL-Nummer MFCD03093295
Molekulargewicht (g/mol) 284.19
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
Summenformel C8H15F6N2P
4

1,1'-Carbonyldiimidazol, 97 %, Thermo Scientific Chemicals

CAS: 530-62-1 Summenformel: C7H6N4O Molekulargewicht (g/mol): 162.15 MDL-Nummer: MFCD00005286 InChI-Schlüssel: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC-Name: Di(Imidazol-1-yl)Methanon SMILES: O=C(N1C=CN=C1)N1C=CN=C1

InChI-Schlüssel PFKFTWBEEFSNDU-UHFFFAOYSA-N
IUPAC-Name Di(Imidazol-1-yl)Methanon
PubChem CID 68263
CAS 530-62-1
MDL-Nummer MFCD00005286
Molekulargewicht (g/mol) 162.15
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Summenformel C7H6N4O
5

1-Methylimidazol, 99 %, Thermo Scientific Chemicals

CAS: 616-47-7 Summenformel: C4H6N2 Molekulargewicht (g/mol): 82.11 MDL-Nummer: MFCD00005292 InChI-Schlüssel: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-Methyl-1H-Imidazol,N-Methylimidazol,1H-Imidazol, 1-methyl,Imidazol, 1-methyl,1-Methyl-imidazol,UNII-4617QS63Y,1-Methylimdazol,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC-Name: 1-Methylimidazol SMILES: CN1C=CN=C1

InChI-Schlüssel MCTWTZJPVLRJOU-UHFFFAOYSA-N
IUPAC-Name 1-Methylimidazol
PubChem CID 1390
CAS 616-47-7
ChEBI CHEBI:113454
MDL-Nummer MFCD00005292
Molekulargewicht (g/mol) 82.11
SMILES CN1C=CN=C1
Synonym 1-Methyl-1H-Imidazol,N-Methylimidazol,1H-Imidazol, 1-methyl,Imidazol, 1-methyl,1-Methyl-imidazol,UNII-4617QS63Y,1-Methylimdazol,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
Summenformel C4H6N2
6

Thermo Scientific Chemicals Tinidazol

CAS: 19387-91-8 Summenformel: C8H13N3O4S Molekulargewicht (g/mol): 247.27 MDL-Nummer: MFCD00057217 InChI-Schlüssel: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC-Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

InChI-Schlüssel HJLSLZFTEKNLFI-UHFFFAOYSA-N
IUPAC-Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
CAS 19387-91-8
MDL-Nummer MFCD00057217
Molekulargewicht (g/mol) 247.27
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
Summenformel C8H13N3O4S
7

1,1'-Carbonyldiimidazol, 97 %, Thermo Scientific Chemicals

CAS: 530-62-1 Summenformel: C7H6N4O Molekulargewicht (g/mol): 162.15 MDL-Nummer: MFCD00005286 InChI-Schlüssel: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

InChI-Schlüssel PFKFTWBEEFSNDU-UHFFFAOYSA-N
PubChem CID 68263
CAS 530-62-1
MDL-Nummer MFCD00005286
Molekulargewicht (g/mol) 162.15
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Summenformel C7H6N4O
8

1-Ethyl-3-methylimidazoliumbromid, ≥ 98 %, Thermo Scientific Chemicals

CAS: 65039-08-9 Summenformel: C6H11BrN2 Molekulargewicht (g/mol): 191.07 MDL-Nummer: MFCD03427610 InChI-Schlüssel: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC-Name: 1-Ethyl-3-Methylimidazol-3-ium;Bromid SMILES: [Br-].CCN1C=C[N+](C)=C1

InChI-Schlüssel GWQYPLXGJIXMMV-UHFFFAOYSA-M
IUPAC-Name 1-Ethyl-3-Methylimidazol-3-ium;Bromid
PubChem CID 2734235
CAS 65039-08-9
MDL-Nummer MFCD03427610
Molekulargewicht (g/mol) 191.07
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
Summenformel C6H11BrN2
9

4,5-Imidazoldicarbonsäure, 99 %, Thermo Scientific Chemicals

CAS: 570-22-9 Summenformel: C5H4N2O4 Molekulargewicht (g/mol): 156.10 MDL-Nummer: MFCD00005200 InChI-Schlüssel: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC-Name: 1H-Imidazol-4,5-Dicarbonsäure SMILES: OC(=O)C1=C(N=CN1)C(O)=O

InChI-Schlüssel ZEVWQFWTGHFIDH-UHFFFAOYSA-N
IUPAC-Name 1H-Imidazol-4,5-Dicarbonsäure
PubChem CID 68442
CAS 570-22-9
MDL-Nummer MFCD00005200
Molekulargewicht (g/mol) 156.10
SMILES OC(=O)C1=C(N=CN1)C(O)=O
Synonym 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
Summenformel C5H4N2O4
10

1H-Benzotriazol, 99 %, Thermo Scientific Chemicals

CAS: 95-14-7 Summenformel: C6H5N3 Molekulargewicht (g/mol): 119.127 MDL-Nummer: MFCD00005699 InChI-Schlüssel: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC-Name: 2H-Benzotriazol SMILES: C1=CC2=NNN=C2C=C1

InChI-Schlüssel QRUDEWIWKLJBPS-UHFFFAOYSA-N
IUPAC-Name 2H-Benzotriazol
PubChem CID 7220
CAS 95-14-7
ChEBI CHEBI:75331
MDL-Nummer MFCD00005699
Molekulargewicht (g/mol) 119.127
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
Summenformel C6H5N3
11

Sulfisoxazol, 99 %, Thermo Scientific Chemicals

CAS: 127-69-5 Summenformel: C11H13N3O3S Molekulargewicht (g/mol): 267.3 InChI-Schlüssel: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC-Name: 4-Amino-N-(3,4-Dimethyl-1,2-Oxazol-5-yl)Benzolsulfonamid SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

InChI-Schlüssel NHUHCSRWZMLRLA-UHFFFAOYSA-N
IUPAC-Name 4-Amino-N-(3,4-Dimethyl-1,2-Oxazol-5-yl)Benzolsulfonamid
PubChem CID 5344
CAS 127-69-5
ChEBI CHEBI:102484
Molekulargewicht (g/mol) 267.3
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
Summenformel C11H13N3O3S
12

Raltegravir Kaliumsalz, Thermo Scientific Chemicals

CAS: 871038-72-1 Summenformel: C20H20FKN6O5 Molekulargewicht (g/mol): 482.51 InChI-Schlüssel: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC-Name: Kalium;4-[(4-Fluorphenyl)Methylcarbamoyl]-1-Methyl-2-[2-[(5-Methyl-1,3,4-Oxadiazol-2-Carbonyl)Amino]Propan-2-yl]-6-Oxopyrimidin-5-Olat SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

InChI-Schlüssel IFUKBHBISRAZTF-UHFFFAOYSA-M
IUPAC-Name Kalium;4-[(4-Fluorphenyl)Methylcarbamoyl]-1-Methyl-2-[2-[(5-Methyl-1,3,4-Oxadiazol-2-Carbonyl)Amino]Propan-2-yl]-6-Oxopyrimidin-5-Olat
PubChem CID 23668479
CAS 871038-72-1
Molekulargewicht (g/mol) 482.51
SMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
Synonym raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide
Summenformel C20H20FKN6O5
13

3-Amino-5-phenyl-1,2,4-thiadiazol, 96 %, Thermo Scientific Chemicals

CAS: 27182-54-3 Summenformel: C8H7N3S Molekulargewicht (g/mol): 177.225 MDL-Nummer: MFCD00159799 InChI-Schlüssel: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC-Name: 5-Phenyl-1,2,4-Thiadiazol-3-Amin SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N

InChI-Schlüssel WOZDQVLZCXNJPY-UHFFFAOYSA-N
IUPAC-Name 5-Phenyl-1,2,4-Thiadiazol-3-Amin
PubChem CID 554203
CAS 27182-54-3
MDL-Nummer MFCD00159799
Molekulargewicht (g/mol) 177.225
SMILES C1=CC=C(C=C1)C2=NC(=NS2)N
Synonym 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,#
Summenformel C8H7N3S
14

Thermo Scientific Chemicals 4-Hydroxypyrazol[3,4-d]pyrimidin, 98 %

CAS: 315-30-0 Summenformel: C5H4N4O Molekulargewicht (g/mol): 136.11 MDL-Nummer: MFCD00599413 InChI-Schlüssel: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC-Name: 1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on SMILES: O=C1N=CN=C2NNC=C12

InChI-Schlüssel OFCNXPDARWKPPY-UHFFFAOYSA-N
IUPAC-Name 1,2-Dihydropyrazol[3,4-d]Pyrimidin-4-on
PubChem CID 2094
CAS 315-30-0
ChEBI CHEBI:40279
MDL-Nummer MFCD00599413
Molekulargewicht (g/mol) 136.11
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
Summenformel C5H4N4O
15

1H-Benzotriazol, 99 %, Thermo Scientific Chemicals

CAS: 95-14-7 Summenformel: C6H5N3 Molekulargewicht (g/mol): 119.13 MDL-Nummer: MFCD00005699 InChI-Schlüssel: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC-Name: 2H-Benzotriazol SMILES: C1=CC2=NNN=C2C=C1

InChI-Schlüssel QRUDEWIWKLJBPS-UHFFFAOYSA-N
IUPAC-Name 2H-Benzotriazol
PubChem CID 7220
CAS 95-14-7
ChEBI CHEBI:75331
MDL-Nummer MFCD00005699
Molekulargewicht (g/mol) 119.13
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
Summenformel C6H5N3