Vitas-M small molecule compound
(2E)-2-cyano-N-cyclohexyl-3-(3-ethoxy-4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}phenyl)prop-2-enamide
Catalog ID
STK064342
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)/C=C(/C(=O)NC1CCCCC1)\C#N
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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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-3-34-25-16-19(15-20(17-28)27(32)29-21-9-5-4-6-10-21)13-14-24(25)35-18-26(31)30-22-11-7-8-12-23(22)33-2/h7-8,11-16,21H,3-6,9-10,18H2,1-2H3,(H,29,32)(H,30,31)/b20-15+InChIKey
HKVFIVZPWHHRGR-HMMYKYKNSA-NSynonyms
(2E)2CYANONCYCLOHEXYL3(3ETHOXY4(2((2METHOXYPHENYL)AMINO)2OXOETHOXY)PHENYL)PROP2ENAMIDE
(E)2CYANONCYCLOHEXYL3(3ETHOXY4(2(2METHOXYANILINO)2OXOETHOXY)PHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC(=O)NC3=CC=CC=C3OC
CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)C=C(C(=O)NC1CCCCC1)C#N
InChI=1SC27H31N3O5c1334251619(1520(1728)27(32)292195461021)131424(25)351826(31)302211781223(22)332h78111621H3691018H212H3(H2932)(H3031)b2015+
MFCD05815959
STK064342
ZINC000009234481
ZINC09234481
ZINC9234481
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