Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-3-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STK065965
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)C(=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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-3-28-21(26)16-8-10-18(11-9-16)23-19(24)17(13-22)12-14-4-6-15(7-5-14)20(25)27-2/h4-12H,3H2,1-2H3,(H,23,24)/b17-12+InChIKey
OHSMHAPXMARRBI-SFQUDFHCSA-NSynonyms
355400-84-9355400849
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)C(=O)OC)C#N
InChI=1SC21H18N2O5c132821(26)1681018(11916)2319(24)17(1322)12144615(7514)20(25)272h412H3H212H3(H2324)b1712+
METHYL4((1E)2CYANO3((4(ETHOXYCARBONYL)PHENYL)AMINO)3OXOPROP1EN1YL)BENZOATE
METHYL4((E)2CYANO3(4ETHOXYCARBONYLANILINO)3OXOPROP1ENYL)BENZOATE
MFCD02104630
STK065965
ZINC000002727031
ZINC02727031
ZINC2727031
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