Vitas-M small molecule compound
4-[(3E)-3-[hydroxy(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Catalog ID
STK562714
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1CCCC(=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 C22H20N2O8 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8/c1-32-16-10-6-13(7-11-16)19-18(20(27)14-4-8-15(9-5-14)24(30)31)21(28)22(29)23(19)12-2-3-17(25)26/h4-11,19,27H,2-3,12H2,1H3,(H,25,26)/b20-18+InChIKey
AKSDOFFDYWUWFL-CZIZESTLSA-NSynonyms
371211-22-2371211222
4((3E)3(hydroxy(4nitrophenyl)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)butanoicacid
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)(N+)(=O)(O))O)C(=O)C(=O)N2CCCC(=O)O
COc1ccc(cc1)C1C(=C(c2ccc(cc2)(N+)(=O)(O))O)C(=O)C(=O)N1CCCC(=O)O
InChI=1SC22H20N2O8c1321610613(71116)1918(20(27)144815(9514)24(30)31)21(28)22(29)23(19)122317(25)26h4111927H2312H21H3(H2526)b2018+
MFCD03817590
ZINC000009301980
ZINC000009301981
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