Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)but-2-enenitrile
Catalog ID
STK080071
SMILES N#C/C(=C(\c1ccc(cc1)[N+](=O)[O-])/C)/c1nc2c([nH]1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H12N4O2 MW 304.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O2/c1-11(12-6-8-13(9-7-12)21(22)23)14(10-18)17-19-15-4-2-3-5-16(15)20-17/h2-9H,1H3,(H,19,20)/b14-11+InChIKey
AMUALGMLULQGBQ-SDNWHVSQSA-NSynonyms
371144-48-8(2E)2(1HBENZIMIDAZOL2YL)3(4NITROPHENYL)BUT2ENENITRILE
(2E)2BENZIMIDAZOL2YL3(4NITROPHENYL)BUT2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(4NITROPHENYL)BUT2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(4nitrophenyl)but2enenitrile
371144488
CC(=C(C#N)C1=NC2=CC=CC=C2N1)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H12N4O2c111(126813(9712)21(22)23)14(1018)171915423516(15)2017h29H1H3(H1920)b1411+
MFCD03009330
N#CC(=C(c1ccc(cc1)(N+)(=O)(O))C)c1nc2c((nH)1)cccc2
STK080071
ZINC000004663787
ZINC04663787
ZINC4663787
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