Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-(4-bromo-3-nitrophenyl)prop-2-enenitrile
Catalog ID
STL419364
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])Br)/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 C16H9BrN4O2 MW 369.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrN4O2/c17-12-6-5-10(8-15(12)21(22)23)7-11(9-18)16-19-13-3-1-2-4-14(13)20-16/h1-8H,(H,19,20)/b11-7-InChIKey
WKPPLPNUEKVSLB-XFFZJAGNSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(4bromo3nitrophenyl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(4bromo3nitrophenyl)prop2enenitrile
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)Br)(N+)(=O)(O))C#N
InChI=1SC16H9BrN4O2c17126510(815(12)21(22)23)711(918)161913312414(13)2016h18H(H1920)b117
MFCD05134251
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))Br)c1nc2c((nH)1)cccc2
ZINC000033669346
ZINC33669346
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