Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{3-ethoxy-4-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Catalog ID
STK522826
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)/C=C(/C(=O)Nc1ccccc1C(=O)OC)\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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-3-34-24-16-18(13-14-23(24)35-26(31)19-9-5-4-6-10-19)15-20(17-28)25(30)29-22-12-8-7-11-21(22)27(32)33-2/h4-16H,3H2,1-2H3,(H,29,30)/b20-15+InChIKey
FGDBIOCXHBYJCD-HMMYKYKNSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=CC=C3
CCOc1cc(ccc1OC(=O)c1ccccc1)C=C(C(=O)Nc1ccccc1C(=O)OC)C#N
InChI=1SC27H22N2O6c1334241618(131423(24)3526(31)1995461019)1520(1728)25(30)292212871121(22)27(32)332h416H3H212H3(H2930)b2015+
methyl2(((2E)2cyano3(3ethoxy4((phenylcarbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
METHYL2(((E)3(4BENZOYLOXY3ETHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
MFCD03155080
ZINC000012585781
ZINC12585781
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