Vitas-M small molecule compound
butyl 4-{[(2E)-2-cyano-3-{4-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Catalog ID
STK949811
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccccc1)/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 C28H24N2O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5/c1-2-3-17-34-27(32)22-11-13-24(14-12-22)30-26(31)23(19-29)18-20-9-15-25(16-10-20)35-28(33)21-7-5-4-6-8-21/h4-16,18H,2-3,17H2,1H3,(H,30,31)/b23-18+InChIKey
YPQOKMWNROWCOM-PTGBLXJZSA-NSynonyms
4((1E)2(N(4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)2CYANOVINYL)PHENYLBENZOATE
butyl4(((2E)2cyano3(4((phenylcarbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
BUTYL4(((E)3(4BENZOYLOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccccc1)C#N
InChI=1SC28H24N2O5c123173427(32)22111324(141222)3026(31)23(1929)182091525(161020)3528(33)217546821h41618H2317H21H3(H3031)b2318+
MFCD02364627
ZINC000001773189
ZINC01773189
ZINC1773189
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