Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK756486
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1C)C)[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 C22H16N4O3 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3/c1-13-14(2)20(26(27)28)9-8-17(13)21-10-7-16(29-21)11-15(12-23)22-24-18-5-3-4-6-19(18)25-22/h3-11H,1-2H3,(H,24,25)/b15-11+InChIKey
OJXJBQATLMYHMV-RVDMUPIBSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(5(23dimethyl4nitrophenyl)furan2yl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(5(23DIMETHYL4NITROPHENYL)(2FURYL))PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(5(23DIMETHYL4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
CC1=C(C=CC(=C1C)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC22H16N4O3c11314(2)20(26(27)28)9817(13)2110716(2921)1115(1223)222418534619(18)2522h311H12H3(H2425)b1511+
MFCD01029593
N#CC(=Cc1ccc(o1)c1ccc(c(c1C)C)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000004149632
ZINC04149632
ZINC4149632
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