Vitas-M small molecule compound
(2Z)-3-(4-bromo-3-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL432830
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])Br)/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 C17H11BrN4O2 MW 383.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN4O2/c1-10-2-5-14-15(6-10)21-17(20-14)12(9-19)7-11-3-4-13(18)16(8-11)22(23)24/h2-8H,1H3,(H,20,21)/b12-7-InChIKey
WEDLURNALYECMG-GHXNOFRVSA-NSynonyms
(2Z)3(4bromo3nitrophenyl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(4BROMO3NITROPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)Br)(N+)(=O)(O))C#N
InChI=1SC17H11BrN4O2c110251415(610)2117(2014)12(919)7113413(18)16(811)22(23)24h28H1H3(H2021)b127
MFCD01249831
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))Br)c1nc2c((nH)1)ccc(c2)C
ZINC000005387319
ZINC05387319
ZINC5387319
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