Vitas-M small molecule compound
(2E)-2-cyano-N-(4-methoxybenzyl)-3-[1-(3-nitrobenzyl)-1H-indol-3-yl]prop-2-enamide
Catalog ID
STK183556
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)[N+](=O)[O-])/C(=O)NCc1ccc(cc1)OC
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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/c1-35-24-11-9-19(10-12-24)16-29-27(32)21(15-28)14-22-18-30(26-8-3-2-7-25(22)26)17-20-5-4-6-23(13-20)31(33)34/h2-14,18H,16-17H2,1H3,(H,29,32)/b21-14+InChIKey
JQXDGBLJSNDECV-KGENOOAVSA-NSynonyms
(2E)2CYANON(4METHOXYBENZYL)3(1(3NITROBENZYL)1HINDOL3YL)PROP2ENAMIDE
(E)2CYANON((4METHOXYPHENYL)METHYL)3(1((3NITROPHENYL)METHYL)INDOL3YL)PROP2ENAMIDE
COC1=CC=C(C=C1)CNC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC27H22N4O4c1352411919(101224)162927(32)21(1528)14221830(26832725(22)26)172054623(1320)31(33)34h21418H1617H21H3(H2932)b2114+
MFCD04531262
N#CC(=Cc1cn(c2c1cccc2)Cc1cccc(c1)(N+)(=O)(O))C(=O)NCc1ccc(cc1)OC
ZINC000009261727
ZINC09261727
ZINC9261727
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