Vitas-M small molecule compound
4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Catalog ID
STL040062
SMILES OC(=O)CCCN1C(c2cccc(c2)[N+](=O)[O-])/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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c22-14-8-6-12(7-9-14)19(27)17-18(13-3-1-4-15(11-13)24(30)31)23(21(29)20(17)28)10-2-5-16(25)26/h1,3-4,6-9,11,18,27H,2,5,10H2,(H,25,26)/b19-17+InChIKey
YHIXNVSHAAARMU-HTXNQAPBSA-NSynonyms
425426-22-84((3E)3((4chlorophenyl)(hydroxy)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)butanoicacid
4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(3NITROPHENYL)45DIOXOPYRROLIDIN1YL)BUTANOICACID
425426228
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCC(=O)O
InChI=1SC21H17ClN2O7c22148612(7914)19(27)1718(1331415(1113)24(30)31)23(21(29)20(17)28)102516(25)26h13469111827H2510H2(H2526)b1917+
MFCD03819248
OC(=O)CCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ZINC000009334497
ZINC000009353888
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