Vitas-M small molecule compound
ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Catalog ID
STK593379
SMILES CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)OC)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O
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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 C27H22ClNO6 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO6/c1-3-35-27(33)18-6-12-20(13-7-18)29-23(16-8-14-21(34-2)15-9-16)22(25(31)26(29)32)24(30)17-4-10-19(28)11-5-17/h4-15,23,30H,3H2,1-2H3/b24-22+InChIKey
XTVBWNQVJIQWSS-ZNTNEXAZSA-NSynonyms
497077-59-5497077595
CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)OC
CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)OC)C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ethyl4((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)benzoate
ETHYL4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN1YL)BENZOATE
InChI=1SC27H22ClNO6c133527(33)1861220(13718)2923(1681421(342)15916)22(25(31)26(29)32)24(30)1741019(28)11517h4152330H3H212H3b2422+
MFCD07201091
ZINC000102612299
ZINC000102612305
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