Vitas-M small molecule compound
(2E)-3-{2-bromo-5-ethoxy-4-[2-oxo-2-(phenylamino)ethoxy]phenyl}-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Catalog ID
STK183010
SMILES CCOc1cc(/C=C(/C(=O)NCCc2c[nH]c3c2cccc3)\C#N)c(cc1OCC(=O)Nc1ccccc1)Br
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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 C30H27BrN4O4 MW 587.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O4/c1-2-38-27-15-21(25(31)16-28(27)39-19-29(36)35-23-8-4-3-5-9-23)14-22(17-32)30(37)33-13-12-20-18-34-26-11-7-6-10-24(20)26/h3-11,14-16,18,34H,2,12-13,19H2,1H3,(H,33,37)(H,35,36)/b22-14+InChIKey
WKQWCNIRHSTGDS-HYARGMPZSA-NSynonyms
(2E)3(2BROMO5ETHOXY4(2OXO2(PHENYLAMINO)ETHOXY)PHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
(E)3(4(2ANILINO2OXOETHOXY)2BROMO5ETHOXYPHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)Br)OCC(=O)NC4=CC=CC=C4
CCOc1cc(C=C(C(=O)NCCc2c(nH)c3c2cccc3)C#N)c(cc1OCC(=O)Nc1ccccc1)Br
InChI=1SC30H27BrN4O4c1238271521(25(31)1628(27)391929(36)35238435923)1422(1732)30(37)3313122018342611761024(20)26h31114161834H2121319H21H3(H3337)(H3536)b2214+
MFCD04355858
ZINC000097960740
ZINC97960740
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