Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(2-fluoro-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STK376425
SMILES N#C/C(=C\c1cc(ccc1F)[N+](=O)[O-])/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 C16H9FN4O2 MW 308.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9FN4O2/c17-13-6-5-12(21(22)23)8-10(13)7-11(9-18)16-19-14-3-1-2-4-15(14)20-16/h1-8H,(H,19,20)/b11-7+InChIKey
ARXFSECDKMXHTC-YRNVUSSQSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(2fluoro5nitrophenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2FLUORO5NITROPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=C(C=CC(=C3)(N+)(=O)(O))F)C#N
InChI=1SC16H9FN4O2c17136512(21(22)23)810(13)711(918)161914312415(14)2016h18H(H1920)b117+
MFCD01359757
N#CC(=Cc1cc(ccc1F)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000003902592
ZINC03902592
ZINC3902592
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