Vitas-M small molecule compound
4-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
Catalog ID
STK565540
SMILES OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/O)/C1c1ccc(cc1)Cl
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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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c22-14-7-3-12(4-8-14)18-17(19(27)13-5-9-15(10-6-13)24(30)31)20(28)21(29)23(18)11-1-2-16(25)26/h3-10,18,27H,1-2,11H2,(H,25,26)/b19-17+InChIKey
XDQYDMRTAFCGIE-HTXNQAPBSA-NSynonyms
331751-37-2331751372
4((3E)2(4chlorophenyl)3(hydroxy(4nitrophenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
C1=CC(=CC=C1C2C(=C(C3=CC=C(C=C3)(N+)(=O)(O))O)C(=O)C(=O)N2CCCC(=O)O)Cl
InChI=1SC21H17ClN2O7c22147312(4814)1817(19(27)135915(10613)24(30)31)20(28)21(29)23(18)111216(25)26h3101827H1211H2(H2526)b1917+
MFCD02160479
OC(=O)CCCN1C(=O)C(=O)C(=C(c2ccc(cc2)(N+)(=O)(O))O)C1c1ccc(cc1)Cl
ZINC000009339981
ZINC000009339982
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