Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK197051
SMILES COc1ccc(cc1c1ccc(o1)/C=C(/c1nc2c([nH]1)cccc2)\C#N)[N+](=O)[O-]
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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 C21H14N4O4 MW 386.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O4/c1-28-19-8-6-14(25(26)27)11-16(19)20-9-7-15(29-20)10-13(12-22)21-23-17-4-2-3-5-18(17)24-21/h2-11H,1H3,(H,23,24)/b13-10+InChIKey
XOYMRWXRRCGQKP-JLHYYAGUSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(5(2METHOXY5NITROPHENYL)FURAN2YL)PROP2ENENITRILE
(2E)2BENZIMIDAZOL2YL3(5(2METHOXY5NITROPHENYL)(2FURYL))PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(5(2METHOXY5NITROPHENYL)FURAN2YL)PROP2ENENITRILE
2(1HBENZIMIDAZOL2YL)3(5(5NITRO2METHOXYPHENYL)2FURYL)ACRYLONITRILE
COC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3
COc1ccc(cc1c1ccc(o1)C=C(c1nc2c((nH)1)cccc2)C#N)(N+)(=O)(O)
InChI=1SC21H14N4O4c128198614(25(26)27)1116(19)209715(2920)1013(1222)212317423518(17)2421h211H1H3(H2324)b1310+
MFCD00846722
ZINC000004363297
ZINC04363297
ZINC4363297
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