Vitas-M small molecule compound
ethyl 4-[(3Z)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Catalog ID
STL150241
SMILES CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)[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 C26H19ClN2O7 MW 506.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O7/c1-2-36-26(33)17-7-11-19(12-8-17)28-22(15-5-13-20(14-6-15)29(34)35)21(24(31)25(28)32)23(30)16-3-9-18(27)10-4-16/h3-14,22,30H,2H2,1H3/b23-21-InChIKey
ZJLSAINQNGEGIU-LNVKXUELSA-NSynonyms
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)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ethyl4((3Z)3((4chlorophenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)benzoate
ethyl4((3Z)3((4chlorophenyl)hydroxymethylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)benzoate
InChI=1SC26H19ClN2O7c123626(33)1771119(12817)2822(1551320(14615)29(34)35)21(24(31)25(28)32)23(30)163918(27)10416h3142230H2H21H3b2321
MFCD03807924
ZINC000102930846
ZINC000102930847
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