Vitas-M small molecule compound
(2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-{2-[(4-nitrobenzyl)oxy]phenyl}prop-2-enamide
Catalog ID
STK111129
SMILES N#C/C(=C\c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])/C(=O)NCCc1c[nH]c2c1cccc2
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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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c28-16-22(27(32)29-14-13-21-17-30-25-7-3-2-6-24(21)25)15-20-5-1-4-8-26(20)35-18-19-9-11-23(12-10-19)31(33)34/h1-12,15,17,30H,13-14,18H2,(H,29,32)/b22-15+InChIKey
VNSLKTYSOVXYNM-PXLXIMEGSA-NSynonyms
(2E)2CYANON(2(1HINDOL3YL)ETHYL)3(2((4NITROBENZYL)OXY)PHENYL)PROP2ENAMIDE
(E)2CYANON(2(1HINDOL3YL)ETHYL)3(2((4NITROPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
C1=CC=C(C(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC27H22N4O4c281622(27(32)29141321173025732624(21)25)1520514826(20)35181991123(121019)31(33)34h112151730H131418H2(H2932)b2215+
MFCD03063758
N#CC(=Cc1ccccc1OCc1ccc(cc1)(N+)(=O)(O))C(=O)NCCc1c(nH)c2c1cccc2
ZINC000009323037
ZINC09323037
ZINC9323037
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