Vitas-M small molecule compound
(2Z)-3-(5-hydroxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201540
SMILES N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])/c1nc2c([nH]1)ccc(c2)C
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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 C17H12N4O3 MW 320.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O3/c1-10-2-4-14-15(6-10)20-17(19-14)12(9-18)7-11-8-13(22)3-5-16(11)21(23)24/h2-8,22H,1H3,(H,19,20)/b12-7-InChIKey
KXNOXTRQIHXVIM-GHXNOFRVSA-NSynonyms
(2Z)3(5HYDROXY2NITROPHENYL)2(5METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(5HYDROXY2NITROPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
3(5HYDROXY2NITROPHENYL)2(5METHYL1HBENZIMIDAZOL2YL)ACRYLONITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC(=C3)O)(N+)(=O)(O))C#N
InChI=1SC17H12N4O3c110241415(610)2017(1914)12(918)711813(22)3516(11)21(23)24h2822H1H3(H1920)b127
MFCD05997643
N#CC(=Cc1cc(O)ccc1(N+)(=O)(O))c1nc2c((nH)1)ccc(c2)C
ZINC000013124668
ZINC13124668
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