Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate
Catalog ID
STK522794
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)/C=C(/C(=O)Nc1ccc(cc1OC)[N+](=O)[O-])\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 C27H23N3O8 MW 517.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O8/c1-4-37-25-14-17(5-12-23(25)38-27(32)18-6-9-21(35-2)10-7-18)13-19(16-28)26(31)29-22-11-8-20(30(33)34)15-24(22)36-3/h5-15H,4H2,1-3H3,(H,29,31)/b19-13+InChIKey
FFQMRLZNMNPDPL-CPNJWEJPSA-NSynonyms
(4((E)2CYANO3(2METHOXY4NITROANILINO)3OXOPROP1ENYL)2ETHOXYPHENYL)4METHOXYBENZOATE
4((1E)2cyano3((2methoxy4nitrophenyl)amino)3oxoprop1en1yl)2ethoxyphenyl4methoxybenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)OC(=O)C3=CC=C(C=C3)OC
CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C(C(=O)Nc1ccc(cc1OC)(N+)(=O)(O))C#N
InChI=1SC27H23N3O8c1437251417(51223(25)3827(32)186921(352)10718)1319(1628)26(31)292211820(30(33)34)1524(22)363h515H4H213H3(H2931)b1913+
MFCD03155243
ZINC000012586069
ZINC12586069
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