Azoles
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1-Methyl-3-n-octylimidazolium Chloride 98.0+%, TCI America™
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CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 3-methyl-1-octyl-1H-imidazol-3-ium chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1
| PubChem CID | 2734223 |
|---|---|
| CAS | 64697-40-1 |
| Molecular Weight (g/mol) | 230.78 |
| ChEBI | CHEBI:61342 |
| MDL Number | MFCD03095432 |
| SMILES | [Cl-].CCCCCCCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j |
| IUPAC Name | 3-methyl-1-octyl-1H-imidazol-3-ium chloride |
| InChI Key | OXFBEEDAZHXDHB-UHFFFAOYSA-M |
| Molecular Formula | C12H23ClN2 |
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 765910-73-4 Molecular Formula: C10H17F3N2O3S Molecular Weight (g/mol): 302.312 MDL Number: MFCD03427624 InChI Key: KSOGGGZFEJTGPZ-UHFFFAOYSA-M Synonym: 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate,1-butyl-2,3-dimethylimidazolium triflate,dsstox_cid_29315,dsstox_rid_83431,dsstox_gsid_49356,ksc496s6h,1-butyl-2,3-dimethylimidazol-1-ium triflate,3-butyl-1,2-dimethylimidazol-1-ium triflate,1-butyl-2,3-dimethylimidazolium trifluoromethansulfonate,1-butyl-2,3-dimethylimidazol-3-ium; trifluoromethanesulfonate PubChem CID: 2734250 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2734250 |
|---|---|
| CAS | 765910-73-4 |
| Molecular Weight (g/mol) | 302.312 |
| MDL Number | MFCD03427624 |
| SMILES | CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate,1-butyl-2,3-dimethylimidazolium triflate,dsstox_cid_29315,dsstox_rid_83431,dsstox_gsid_49356,ksc496s6h,1-butyl-2,3-dimethylimidazol-1-ium triflate,3-butyl-1,2-dimethylimidazol-1-ium triflate,1-butyl-2,3-dimethylimidazolium trifluoromethansulfonate,1-butyl-2,3-dimethylimidazol-3-ium; trifluoromethanesulfonate |
| IUPAC Name | 1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate |
| InChI Key | KSOGGGZFEJTGPZ-UHFFFAOYSA-M |
| Molecular Formula | C10H17F3N2O3S |
3-(Trifluoromethyl)pyrazole 98.0+%, TCI America™
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CAS: 20154-03-4 Molecular Formula: C4H3F3N2 Molecular Weight (g/mol): 136.077 MDL Number: MFCD00115018 InChI Key: PYXNITNKYBLBMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423 PubChem CID: 1807034 IUPAC Name: 5-(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1)C(F)(F)F
| PubChem CID | 1807034 |
|---|---|
| CAS | 20154-03-4 |
| Molecular Weight (g/mol) | 136.077 |
| MDL Number | MFCD00115018 |
| SMILES | C1=C(NN=C1)C(F)(F)F |
| Synonym | 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423 |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrazole |
| InChI Key | PYXNITNKYBLBMW-UHFFFAOYSA-N |
| Molecular Formula | C4H3F3N2 |
6-Chloroimidazo[1,2-b]pyridazine 98.0+%, TCI America™
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CAS: 6775-78-6 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.569 MDL Number: MFCD07778345 InChI Key: MPZDNIJHHXRTIQ-UHFFFAOYSA-N PubChem CID: 138828 IUPAC Name: 6-chloroimidazo[1,2-b]pyridazine SMILES: C1=CC(=NN2C1=NC=C2)Cl
| PubChem CID | 138828 |
|---|---|
| CAS | 6775-78-6 |
| Molecular Weight (g/mol) | 153.569 |
| MDL Number | MFCD07778345 |
| SMILES | C1=CC(=NN2C1=NC=C2)Cl |
| IUPAC Name | 6-chloroimidazo[1,2-b]pyridazine |
| InChI Key | MPZDNIJHHXRTIQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClN3 |
Tris(3,5-dimethyl-1-pyrazolyl)methane 98.0+%, TCI America™
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CAS: 28791-97-1 Molecular Formula: C16H22N6 Molecular Weight (g/mol): 298.39 MDL Number: MFCD00958749 InChI Key: COKUMKYWINNWLV-UHFFFAOYSA-N PubChem CID: 4359225 IUPAC Name: 1-[bis(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole SMILES: CC1=NN(C(N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1
| PubChem CID | 4359225 |
|---|---|
| CAS | 28791-97-1 |
| Molecular Weight (g/mol) | 298.39 |
| MDL Number | MFCD00958749 |
| SMILES | CC1=NN(C(N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1 |
| IUPAC Name | 1-[bis(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole |
| InChI Key | COKUMKYWINNWLV-UHFFFAOYSA-N |
| Molecular Formula | C16H22N6 |
5-Methyl-1,3,4-thiadiazole-2-thiol 98.0+%, TCI America™
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CAS: 29490-19-5 Molecular Formula: C3H4N2S2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00038349 InChI Key: FPVUWZFFEGYCGB-UHFFFAOYSA-N Synonym: 2-mercapto-5-methyl-1,3,4-thiadiazole,5-methyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2 3h-thione, 5-methyl,5-methyl-1,3,4-thiadiazole-2 3h-thione,5-methyl-1,3,4-thiadiazol-2-thiol,2-methyl-5-mercapto-1,3,4-thiadiazole,d2-1,3,4-thiadiazoline-5-thione, 2-methyl,cefazolin impurity e,pubchem9932,acmc-1cbwn PubChem CID: 1810203 IUPAC Name: 5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione SMILES: CC1=NNC(=S)S1
| PubChem CID | 1810203 |
|---|---|
| CAS | 29490-19-5 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00038349 |
| SMILES | CC1=NNC(=S)S1 |
| Synonym | 2-mercapto-5-methyl-1,3,4-thiadiazole,5-methyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2 3h-thione, 5-methyl,5-methyl-1,3,4-thiadiazole-2 3h-thione,5-methyl-1,3,4-thiadiazol-2-thiol,2-methyl-5-mercapto-1,3,4-thiadiazole,d2-1,3,4-thiadiazoline-5-thione, 2-methyl,cefazolin impurity e,pubchem9932,acmc-1cbwn |
| IUPAC Name | 5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione |
| InChI Key | FPVUWZFFEGYCGB-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2S2 |
5-Acetyl-2-amino-4-methylthiazole 98.0+%, TCI America™
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CAS: 30748-47-1 Molecular Formula: C6H8N2OS Molecular Weight (g/mol): 156.203 MDL Number: MFCD00051952 InChI Key: PKUKCASRNJIQNU-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-5-acetylthiazole,1-2-amino-4-methylthiazol-5-yl ethanone,1-2-amino-4-methyl-1,3-thiazol-5-yl ethanone,5-acetyl-2-amino-4-methylthiazole,1-2-amino-4-methyl-1,3-thiazol-5-yl ethan-1-one,1-2-amino-4-methyl-thiazol-5-yl-ethanone,5-acetyl-2-amino-4-methyl-1,3-thiazole,ethanone, 1-2-amino-4-methyl-5-thiazolyl,1-2-amino-4-methyl-1,3-thiazol-5-yl-1-ethanone,5-acetyl-4-methyl-2-thiazolamine PubChem CID: 720882 IUPAC Name: 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)N)C(=O)C
| PubChem CID | 720882 |
|---|---|
| CAS | 30748-47-1 |
| Molecular Weight (g/mol) | 156.203 |
| MDL Number | MFCD00051952 |
| SMILES | CC1=C(SC(=N1)N)C(=O)C |
| Synonym | 2-amino-4-methyl-5-acetylthiazole,1-2-amino-4-methylthiazol-5-yl ethanone,1-2-amino-4-methyl-1,3-thiazol-5-yl ethanone,5-acetyl-2-amino-4-methylthiazole,1-2-amino-4-methyl-1,3-thiazol-5-yl ethan-1-one,1-2-amino-4-methyl-thiazol-5-yl-ethanone,5-acetyl-2-amino-4-methyl-1,3-thiazole,ethanone, 1-2-amino-4-methyl-5-thiazolyl,1-2-amino-4-methyl-1,3-thiazol-5-yl-1-ethanone,5-acetyl-4-methyl-2-thiazolamine |
| IUPAC Name | 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone |
| InChI Key | PKUKCASRNJIQNU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2OS |
3-Indazolinone 98.0+%, TCI America™
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4-Methyl-2-phenylimidazole 93.0+%, TCI America™
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CAS: 827-43-0 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00047015 InChI Key: TYOXIFXYEIILLY-UHFFFAOYSA-N PubChem CID: 70012 IUPAC Name: 5-methyl-2-phenyl-1H-imidazole SMILES: CC1=CN=C(N1)C1=CC=CC=C1
| PubChem CID | 70012 |
|---|---|
| CAS | 827-43-0 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00047015 |
| SMILES | CC1=CN=C(N1)C1=CC=CC=C1 |
| IUPAC Name | 5-methyl-2-phenyl-1H-imidazole |
| InChI Key | TYOXIFXYEIILLY-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
1-Butylimidazole 98.0+%, TCI America™
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CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1
| PubChem CID | 61347 |
|---|---|
| CAS | 4316-42-1 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00042753 |
| SMILES | CCCCN1C=CN=C1 |
| Synonym | 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl |
| IUPAC Name | 1-butyl-1H-imidazole |
| InChI Key | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
1,4-Bis[(1H-imidazol-1-yl)methyl]benzene 98.0+%, TCI America™
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CAS: 56643-83-5 Molecular Formula: C14H14N4 Molecular Weight (g/mol): 238.29 MDL Number: MFCD06598031 InChI Key: NKUFFYFOBGGDTP-UHFFFAOYSA-N PubChem CID: 1257389 IUPAC Name: 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole SMILES: C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1
| PubChem CID | 1257389 |
|---|---|
| CAS | 56643-83-5 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD06598031 |
| SMILES | C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1 |
| IUPAC Name | 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole |
| InChI Key | NKUFFYFOBGGDTP-UHFFFAOYSA-N |
| Molecular Formula | C14H14N4 |
3-Iodo-6-nitroindazole 98.0+%, TCI America™
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CAS: 70315-70-7 Molecular Formula: C7H4IN3O2 Molecular Weight (g/mol): 289.03 MDL Number: MFCD07781652 InChI Key: GZCGNGLOCQEDMT-UHFFFAOYSA-N PubChem CID: 12475306 IUPAC Name: 3-iodo-6-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC2=NNC(I)=C2C=C1
| PubChem CID | 12475306 |
|---|---|
| CAS | 70315-70-7 |
| Molecular Weight (g/mol) | 289.03 |
| MDL Number | MFCD07781652 |
| SMILES | [O-][N+](=O)C1=CC2=NNC(I)=C2C=C1 |
| IUPAC Name | 3-iodo-6-nitro-2H-indazole |
| InChI Key | GZCGNGLOCQEDMT-UHFFFAOYSA-N |
| Molecular Formula | C7H4IN3O2 |
2-(4-Methyl-5-thiazolyl)ethyl Acetate 98.0+%, TCI America™
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CAS: 656-53-1 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.24 MDL Number: MFCD00005338 InChI Key: CRTCWNPLKVVXIX-UHFFFAOYSA-N Synonym: 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole PubChem CID: 61192 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate SMILES: CC(=O)OCCC1=C(C)N=CS1
| PubChem CID | 61192 |
|---|---|
| CAS | 656-53-1 |
| Molecular Weight (g/mol) | 185.24 |
| MDL Number | MFCD00005338 |
| SMILES | CC(=O)OCCC1=C(C)N=CS1 |
| Synonym | 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole |
| IUPAC Name | 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate |
| InChI Key | CRTCWNPLKVVXIX-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene 98.0+%, TCI America™
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CAS: 192198-85-9 Molecular Formula: C45H30N6 Molecular Weight (g/mol): 654.78 MDL Number: MFCD08276433 InChI Key: GEQBRULPNIVQPP-UHFFFAOYSA-N Synonym: 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi PubChem CID: 21932919 IUPAC Name: 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole SMILES: C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1
| PubChem CID | 21932919 |
|---|---|
| CAS | 192198-85-9 |
| Molecular Weight (g/mol) | 654.78 |
| MDL Number | MFCD08276433 |
| SMILES | C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1 |
| Synonym | 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi |
| IUPAC Name | 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole |
| InChI Key | GEQBRULPNIVQPP-UHFFFAOYSA-N |
| Molecular Formula | C45H30N6 |
Flumazenil 99.0+%, TCI America™
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CAS: 78755-81-4 Molecular Formula: C15H14FN3O3 Molecular Weight (g/mol): 303.293 MDL Number: MFCD00242764 InChI Key: OFBIFZUFASYYRE-UHFFFAOYSA-N Synonym: flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish PubChem CID: 3373 ChEBI: CHEBI:5103 IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
| PubChem CID | 3373 |
|---|---|
| CAS | 78755-81-4 |
| Molecular Weight (g/mol) | 303.293 |
| ChEBI | CHEBI:5103 |
| MDL Number | MFCD00242764 |
| SMILES | CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C |
| Synonym | flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish |
| IUPAC Name | ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
| InChI Key | OFBIFZUFASYYRE-UHFFFAOYSA-N |
| Molecular Formula | C15H14FN3O3 |