Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(4-methoxy-3-{[(4-methoxyphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK522830
SMILES COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)/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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-33-20-11-9-18(10-12-20)26(31)36-24-15-17(8-13-23(24)34-2)14-19(16-28)25(30)29-22-7-5-4-6-21(22)27(32)35-3/h4-15H,1-3H3,(H,29,30)/b19-14+InChIKey
SVPVBWBTQSFTQL-XMHGGMMESA-NSynonyms
COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)OC)OC
COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)C=C(C(=O)Nc1ccccc1C(=O)OC)C#N
InChI=1SC27H22N2O7c1332011918(101220)26(31)36241517(81323(24)342)1419(1628)25(30)2922754621(22)27(32)353h415H13H3(H2930)b1914+
methyl2(((2E)2cyano3(4methoxy3(((4methoxyphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
METHYL2(((E)2CYANO3(4METHOXY3(4METHOXYBENZOYL)OXYPHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD03154992
ZINC000001439559
ZINC01439559
ZINC1439559
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