Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK320514
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1[N+](=O)[O-])Cl)/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/c21-13-5-7-15(18(10-13)25(26)27)19-8-6-14(28-19)9-12(11-22)20-23-16-3-1-2-4-17(16)24-20/h1-10H,(H,23,24)/b12-9+InChIKey
IWCBPJUUWGJZEG-FMIVXFBMSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(5(4chloro2nitrophenyl)furan2yl)prop2enenitrile
(E)2(1Hbenzimidazol2yl)3(5(4chloro2nitrophenyl)furan2yl)prop2enenitrile
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))C#N
InChI=1SC20H11ClN4O3c21135715(18(1013)25(26)27)198614(2819)912(1122)202316312417(16)2420h110H(H2324)b129+
MFCD06972439
N#CC(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))Cl)c1nc2c((nH)1)cccc2
ZINC000012652792
ZINC12652792
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