Vitas-M small molecule compound
4-{(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
Catalog ID
STK560949
SMILES OC(=O)CCCN1C(c2ccc(cc2)Br)/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 C21H17BrClNO5 MW 478.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrClNO5/c22-14-7-3-12(4-8-14)18-17(19(27)13-5-9-15(23)10-6-13)20(28)21(29)24(18)11-1-2-16(25)26/h3-10,18,27H,1-2,11H2,(H,25,26)/b19-17+InChIKey
JBXGIYDLYSKNRL-HTXNQAPBSA-NSynonyms
425611-33-24((3E)2(4bromophenyl)3((4chlorophenyl)(hydroxy)methylidene)45dioxopyrrolidin1yl)butanoicacid
4((3E)2(4BROMOPHENYL)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN1YL)BUTANOICACID
425611332
C1=CC(=CC=C1C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCC(=O)O)Br
InChI=1SC21H17BrClNO5c22147312(4814)1817(19(27)135915(23)10613)20(28)21(29)24(18)111216(25)26h3101827H1211H2(H2526)b1917+
MFCD03811262
OC(=O)CCCN1C(c2ccc(cc2)Br)C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ZINC000102500290
ZINC000102500297
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