Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK394119
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1Cl)[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 C20H11ClN4O3 MW 390.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11ClN4O3/c21-16-10-13(25(26)27)5-7-15(16)19-8-6-14(28-19)9-12(11-22)20-23-17-3-1-2-4-18(17)24-20/h1-10H,(H,23,24)/b12-9+InChIKey
ZDNPMQJJVDXMPR-FMIVXFBMSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(5(2CHLORO4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(5(2CHLORO4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C#N
InChI=1SC20H11ClN4O3c21161013(25(26)27)5715(16)198614(2819)912(1122)202317312418(17)2420h110H(H2324)b129+
MFCD01102215
N#CC(=Cc1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000004066703
ZINC04066703
ZINC4066703
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