Vitas-M small molecule compound
butyl 4-{[(2E)-2-cyano-3-(4-{[(4-methylphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK949824
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C)/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 C29H26N2O5 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5/c1-3-4-17-35-28(33)22-11-13-25(14-12-22)31-27(32)24(19-30)18-21-7-15-26(16-8-21)36-29(34)23-9-5-20(2)6-10-23/h5-16,18H,3-4,17H2,1-2H3,(H,31,32)/b24-18+InChIKey
UZKBAZKCECYOFE-HKOYGPOVSA-NSynonyms
(4((E)3(4BUTOXYCARBONYLANILINO)2CYANO3OXOPROP1ENYL)PHENYL)4METHYLBENZOATE
4((1E)2(N(4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)2CYANOVINYL)PHENYL4METHYLBENZOATE
butyl4(((2E)2cyano3(4(((4methylphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C#N
InChI=1SC29H26N2O5c134173528(33)22111325(141222)3127(32)24(1930)182171526(16821)3629(34)239520(2)61023h51618H3417H212H3(H3132)b2418+
MFCD02364664
ZINC000001773274
ZINC01773274
ZINC1773274
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