Vitas-M small molecule compound
(2E)-N-benzyl-2-cyano-3-{3,5-dichloro-2-[2-(4-methoxyphenoxy)ethoxy]phenyl}prop-2-enamide
Catalog ID
STK090660
SMILES COc1ccc(cc1)OCCOc1c(Cl)cc(cc1/C=C(/C(=O)NCc1ccccc1)\C#N)Cl
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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 C26H22Cl2N2O4 MW 497.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O4/c1-32-22-7-9-23(10-8-22)33-11-12-34-25-19(14-21(27)15-24(25)28)13-20(16-29)26(31)30-17-18-5-3-2-4-6-18/h2-10,13-15H,11-12,17H2,1H3,(H,30,31)/b20-13+InChIKey
GLPREXZUHMBXCI-DEDYPNTBSA-NSynonyms
(2E)NBENZYL2CYANO3(35DICHLORO2(2(4METHOXYPHENOXY)ETHOXY)PHENYL)PROP2ENAMIDE
(E)Nbenzyl2cyano3(35dichloro2(2(4methoxyphenoxy)ethoxy)phenyl)prop2enamide
COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)Cl)Cl
COc1ccc(cc1)OCCOc1c(Cl)cc(cc1C=C(C(=O)NCc1ccccc1)C#N)Cl
InChI=1SC26H22Cl2N2O4c132227923(10822)331112342519(1421(27)1524(25)28)1320(1629)26(31)3017185324618h2101315H111217H21H3(H3031)b2013+
MFCD05976526
STK090660
ZINC000013894596
ZINC13894596
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