Azoles
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3-Methyl-4-nitropyrazole 98.0+%, TCI America™
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3-(Chloromethyl)-1,2,4-triazolin-5-one 98.0+%, TCI America™
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CAS: 252742-72-6 Molecular Formula: C3H4ClN3O Molecular Weight (g/mol): 133.535 MDL Number: MFCD07776630 InChI Key: ZLRBJVJEQXBAAI-UHFFFAOYSA-N Synonym: 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one PubChem CID: 10129979 IUPAC Name: 5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one SMILES: C(C1=NC(=O)NN1)Cl
| PubChem CID | 10129979 |
|---|---|
| CAS | 252742-72-6 |
| Molecular Weight (g/mol) | 133.535 |
| MDL Number | MFCD07776630 |
| SMILES | C(C1=NC(=O)NN1)Cl |
| Synonym | 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one |
| IUPAC Name | 5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one |
| InChI Key | ZLRBJVJEQXBAAI-UHFFFAOYSA-N |
| Molecular Formula | C3H4ClN3O |
3-Nitro-1,2,4-triazole 98.0+%, TCI America™
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CAS: 24807-55-4 Molecular Formula: C2H2N4O2 Molecular Weight (g/mol): 114.064 MDL Number: MFCD00009749 InChI Key: KUEFXPHXHHANKS-UHFFFAOYSA-N Synonym: 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole PubChem CID: 90614 IUPAC Name: 5-nitro-1H-1,2,4-triazole SMILES: C1=NNC(=N1)[N+](=O)[O-]
| PubChem CID | 90614 |
|---|---|
| CAS | 24807-55-4 |
| Molecular Weight (g/mol) | 114.064 |
| MDL Number | MFCD00009749 |
| SMILES | C1=NNC(=N1)[N+](=O)[O-] |
| Synonym | 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole |
| IUPAC Name | 5-nitro-1H-1,2,4-triazole |
| InChI Key | KUEFXPHXHHANKS-UHFFFAOYSA-N |
| Molecular Formula | C2H2N4O2 |
2-(4-Chlorophenyl)benzimidazole 98.0+%, TCI America™
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CAS: 1019-85-8 Molecular Formula: C13H9ClN2 Molecular Weight (g/mol): 228.679 InChI Key: PTXUJRTVWRYYTE-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl benzimidazole,2-4-chlorophenyl-1h-benzoimidazole,2-4-chlorophenyl-1h-benzimidazole,2-4-chloro-phenyl-1h-benzoimidazole,1h-benzimidazole, 2-4-chlorophenyl,2-4-chlorophenyl-1h-benzo d imidazole,2-4-chlorophenyl-1h-1,3-benzodiazole,acmc-2097xz,1h-benzimidazole,2-4-chlorophenyl PubChem CID: 759417 IUPAC Name: 2-(4-chlorophenyl)-1H-benzimidazole SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl
| PubChem CID | 759417 |
|---|---|
| CAS | 1019-85-8 |
| Molecular Weight (g/mol) | 228.679 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl |
| Synonym | 2-4-chlorophenyl benzimidazole,2-4-chlorophenyl-1h-benzoimidazole,2-4-chlorophenyl-1h-benzimidazole,2-4-chloro-phenyl-1h-benzoimidazole,1h-benzimidazole, 2-4-chlorophenyl,2-4-chlorophenyl-1h-benzo d imidazole,2-4-chlorophenyl-1h-1,3-benzodiazole,acmc-2097xz,1h-benzimidazole,2-4-chlorophenyl |
| IUPAC Name | 2-(4-chlorophenyl)-1H-benzimidazole |
| InChI Key | PTXUJRTVWRYYTE-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClN2 |
1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one 95.0+%, TCI America™
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CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
| PubChem CID | 1456 |
|---|---|
| CAS | 41443-28-1 |
| Molecular Weight (g/mol) | 187.158 |
| MDL Number | MFCD00792620 |
| SMILES | C1=CC=C2C(=C1)N=CC3=NOC(=O)N23 |
| Synonym | 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq |
| IUPAC Name | [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one |
| InChI Key | LZMHWZHOZLVYDL-UHFFFAOYSA-N |
| Molecular Formula | C9H5N3O2 |
1-Vinylimidazole 98.0+%, TCI America™
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CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 IUPAC Name: 1-ethenyl-1H-imidazole SMILES: C=CN1C=CN=C1
| PubChem CID | 66171 |
|---|---|
| CAS | 1072-63-5 |
| Molecular Weight (g/mol) | 94.12 |
| MDL Number | MFCD00005297 |
| SMILES | C=CN1C=CN=C1 |
| Synonym | 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer |
| IUPAC Name | 1-ethenyl-1H-imidazole |
| InChI Key | OSSNTDFYBPYIEC-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
2,4-Dimethyloxazole 98.0+%, TCI America™
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CAS: 7208-05-1 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.12 MDL Number: MFCD00234124 InChI Key: PSOZJOZKEVZLKZ-UHFFFAOYSA-N PubChem CID: 138961 IUPAC Name: 2,4-dimethyl-1,3-oxazole SMILES: CC1=COC(=N1)C
| PubChem CID | 138961 |
|---|---|
| CAS | 7208-05-1 |
| Molecular Weight (g/mol) | 97.12 |
| MDL Number | MFCD00234124 |
| SMILES | CC1=COC(=N1)C |
| IUPAC Name | 2,4-dimethyl-1,3-oxazole |
| InChI Key | PSOZJOZKEVZLKZ-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO |
2-Amino-4,5-dimethylthiazole Hydrobromide 98.0+%, TCI America™
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CAS: 7170-76-5 Molecular Formula: C5H9BrN2S Molecular Weight (g/mol): 209.105 MDL Number: MFCD00035212 InChI Key: CATCJRCKBGAMKK-UHFFFAOYSA-N Synonym: 2-amino-4,5-dimethylthiazole hydrobromide,4,5-dimethyl-1,3-thiazol-2-amine hydrobromide,4,5-dimethylthiazol-2-amine hydrobromide,unii-nm8hvb696p,2-thiazolamine, 4,5-dimethyl-, monohydrobromide,nm8hvb696p,2-thiazolamine, 4,5-dimethyl-, hydrobromide 1:1,dimethyl-1,3-thiazol-2-amine hydrobromide,thiazole, 2-amino-4,5-dimethyl-, hydrobromide,acmc-209ojv PubChem CID: 73237 IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine;hydrobromide SMILES: CC1=C(SC(=N1)N)C.Br
| PubChem CID | 73237 |
|---|---|
| CAS | 7170-76-5 |
| Molecular Weight (g/mol) | 209.105 |
| MDL Number | MFCD00035212 |
| SMILES | CC1=C(SC(=N1)N)C.Br |
| Synonym | 2-amino-4,5-dimethylthiazole hydrobromide,4,5-dimethyl-1,3-thiazol-2-amine hydrobromide,4,5-dimethylthiazol-2-amine hydrobromide,unii-nm8hvb696p,2-thiazolamine, 4,5-dimethyl-, monohydrobromide,nm8hvb696p,2-thiazolamine, 4,5-dimethyl-, hydrobromide 1:1,dimethyl-1,3-thiazol-2-amine hydrobromide,thiazole, 2-amino-4,5-dimethyl-, hydrobromide,acmc-209ojv |
| IUPAC Name | 4,5-dimethyl-1,3-thiazol-2-amine;hydrobromide |
| InChI Key | CATCJRCKBGAMKK-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrN2S |
2-(4-Bromophenyl)benzoxazole 98.0+%, TCI America™
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CAS: 3164-13-4 Molecular Formula: C13H8BrNO Molecular Weight (g/mol): 274.12 MDL Number: MFCD00168898 InChI Key: RBVHJNZMSBQFDK-UHFFFAOYSA-N PubChem CID: 12846715 IUPAC Name: 2-(4-bromophenyl)-1,3-benzoxazole SMILES: BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1
| PubChem CID | 12846715 |
|---|---|
| CAS | 3164-13-4 |
| Molecular Weight (g/mol) | 274.12 |
| MDL Number | MFCD00168898 |
| SMILES | BrC1=CC=C(C=C1)C1=NC2=CC=CC=C2O1 |
| IUPAC Name | 2-(4-bromophenyl)-1,3-benzoxazole |
| InChI Key | RBVHJNZMSBQFDK-UHFFFAOYSA-N |
| Molecular Formula | C13H8BrNO |
Febuxostat 97.0+%, TCI America™
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CAS: 144060-53-7 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00871598 InChI Key: BQSJTQLCZDPROO-UHFFFAOYSA-N Synonym: febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn PubChem CID: 134018 ChEBI: CHEBI:45943 IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O
| PubChem CID | 134018 |
|---|---|
| CAS | 144060-53-7 |
| Molecular Weight (g/mol) | 316.38 |
| ChEBI | CHEBI:45943 |
| MDL Number | MFCD00871598 |
| SMILES | CC(C)COC1=CC=C(C=C1C#N)C1=NC(C)=C(S1)C(O)=O |
| Synonym | febuxostat,adenuric,uloric,feburic,tmx 67,2-3-cyano-4-isobutoxyphenyl-4-methylthiazole-5-carboxylic acid,tmx-67,febuxostat usan,unii-101v0r1n2e,uloric tn |
| IUPAC Name | 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI Key | BQSJTQLCZDPROO-UHFFFAOYSA-N |
| Molecular Formula | C16H16N2O3S |
Azilsartan 98.0+%, TCI America™
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CAS: 147403-03-0 Molecular Formula: C25H20N4O5 Molecular Weight (g/mol): 456.46 MDL Number: MFCD20278186 InChI Key: KGSXMPPBFPAXLY-UHFFFAOYSA-N Synonym: azilsartan,unii-f9nux55p23,azilsartan tak-536,chembl57242,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzimidazole-7-carboxylic acid,1h-benzimidazole-7-carboxylic acid, 1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy,1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzimidazole-7-carboxylic acid,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzo d imidazole-7-carboxylic acid,2-ethoxy-1-2'-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl benzimidazole-7-carboxylic acid,2-ethoxy-3-4-2-5-oxo-2h-1,2,4-oxadiazol-3-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid PubChem CID: 9825285 ChEBI: CHEBI:68850 IUPAC Name: 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid SMILES: CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NC(=O)ON1
| PubChem CID | 9825285 |
|---|---|
| CAS | 147403-03-0 |
| Molecular Weight (g/mol) | 456.46 |
| ChEBI | CHEBI:68850 |
| MDL Number | MFCD20278186 |
| SMILES | CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NC(=O)ON1 |
| Synonym | azilsartan,unii-f9nux55p23,azilsartan tak-536,chembl57242,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzimidazole-7-carboxylic acid,1h-benzimidazole-7-carboxylic acid, 1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy,1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzimidazole-7-carboxylic acid,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzo d imidazole-7-carboxylic acid,2-ethoxy-1-2'-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl benzimidazole-7-carboxylic acid,2-ethoxy-3-4-2-5-oxo-2h-1,2,4-oxadiazol-3-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid |
| IUPAC Name | 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid |
| InChI Key | KGSXMPPBFPAXLY-UHFFFAOYSA-N |
| Molecular Formula | C25H20N4O5 |
3,5-Dimethylpyrazole 98.0+%, TCI America™
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CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: 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-pyrazole SMILES: CC1=CC(C)=NN1
| PubChem CID | 6210 |
|---|---|
| CAS | 67-51-6 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005243 |
| 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 |
| IUPAC Name | 3,5-dimethyl-1H-pyrazole |
| InChI Key | SDXAWLJRERMRKF-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
1-(4-Nitrobenzyl)-1,2,4-triazole 98.0+%, TCI America™
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1-Allylimidazole 97.0+%, TCI America™
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CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-(prop-2-en-1-yl)-1H-imidazole SMILES: C=CCN1C=CN=C1
| PubChem CID | 35794 |
|---|---|
| CAS | 31410-01-2 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00037894 |
| SMILES | C=CCN1C=CN=C1 |
| Synonym | 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # |
| IUPAC Name | 1-(prop-2-en-1-yl)-1H-imidazole |
| InChI Key | XLXCHZCQTCBUOX-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
1-Butyl-3-methylimidazolium Methyl Sulfate 98.0+%, TCI America™
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CAS: 401788-98-5 Molecular Formula: C9H18N2O4S Molecular Weight (g/mol): 250.31 MDL Number: MFCD03095437 InChI Key: MEMNKNZDROKJHP-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium methyl sulfate,1-butyl-3-methylimidazolium methylsulfate,bmimmeso4,1-n-butyl-3-methylimidazolium methylsulfate,1-butyl-3-methylimidazolium methyl sulfate 1-,acmc-20aowh,basionics™ lq 02,1-butyl-3-methylimidazolium methylsul-fate,1-butyl-3-methylimidazol-3-ium,methyl sulfate,1-butyl-3-methyl-imidazol-3-ium; methyl sulfate PubChem CID: 12095228 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate SMILES: COS([O-])(=O)=O.CCCCN1C=C[N+](C)=C1
| PubChem CID | 12095228 |
|---|---|
| CAS | 401788-98-5 |
| Molecular Weight (g/mol) | 250.31 |
| MDL Number | MFCD03095437 |
| SMILES | COS([O-])(=O)=O.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium methyl sulfate,1-butyl-3-methylimidazolium methylsulfate,bmimmeso4,1-n-butyl-3-methylimidazolium methylsulfate,1-butyl-3-methylimidazolium methyl sulfate 1-,acmc-20aowh,basionics™ lq 02,1-butyl-3-methylimidazolium methylsul-fate,1-butyl-3-methylimidazol-3-ium,methyl sulfate,1-butyl-3-methyl-imidazol-3-ium; methyl sulfate |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate |
| InChI Key | MEMNKNZDROKJHP-UHFFFAOYSA-M |
| Molecular Formula | C9H18N2O4S |