Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK112354
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[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 C21H14N4O3 MW 370.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O3/c1-13-6-7-14(11-19(13)25(26)27)20-9-8-16(28-20)10-15(12-22)21-23-17-4-2-3-5-18(17)24-21/h2-11H,1H3,(H,23,24)/b15-10+InChIKey
ZWBWQTMPQRUTEO-XNTDXEJSSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(5(4METHYL3NITROPHENYL)FURAN2YL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(5(4METHYL3NITROPHENYL)FURAN2YL)PROP2ENENITRILE
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)(N+)(=O)(O)
InChI=1SC21H14N4O3c1136714(1119(13)25(26)27)209816(2820)1015(1222)212317423518(17)2421h211H1H3(H2324)b1510+
MFCD04212246
N#CC(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))C)c1nc2c((nH)1)cccc2
ZINC000004678109
ZINC04678109
ZINC4678109
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