Vitas-M small molecule compound
3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Catalog ID
STL040143
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)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 C21H18ClNO6 MW 415.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO6/c1-29-15-8-4-12(5-9-15)18-17(19(26)13-2-6-14(22)7-3-13)20(27)21(28)23(18)11-10-16(24)25/h2-9,18,26H,10-11H2,1H3,(H,24,25)/b19-17+InChIKey
IIZNKXNVIOZCTR-HTXNQAPBSA-NSynonyms
440096-69-53((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)propanoicacid
3((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN1YL)PROPANOICACID
440096695
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCC(=O)O
COc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1CCC(=O)O
InChI=1SC21H18ClNO6c129158412(5915)1817(19(26)132614(22)7313)20(27)21(28)23(18)111016(24)25h291826H1011H21H3(H2425)b1917+
MFCD03818757
ZINC000005489854
ZINC000102864755
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