Vitas-M small molecule compound

4-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid

Catalog ID
STL038790
SMILES COc1ccc(c(c1)OC)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 C23H22N2O9 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O9/c1-33-15-9-10-16(17(12-15)34-2)20-19(21(28)13-5-7-14(8-6-13)25(31)32)22(29)23(30)24(20)11-3-4-18(26)27/h5-10,12,20,28H,3-4,11H2,1-2H3,(H,26,27)/b21-19+
InChIKey
KFPPUJJJVHNZNM-XUTLUUPISA-N
Synonyms
489414-43-9
4((3E)2(24dimethoxyphenyl)3(hydroxy(4nitrophenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
489414439
COC1=CC(=C(C=C1)C2C(=C(C3=CC=C(C=C3)(N+)(=O)(O))O)C(=O)C(=O)N2CCCC(=O)O)OC
COc1ccc(c(c1)OC)C1C(=C(c2ccc(cc2)(N+)(=O)(O))O)C(=O)C(=O)N1CCCC(=O)O
InChI=1SC23H22N2O9c1331591016(17(1215)342)2019(21(28)135714(8613)25(31)32)22(29)23(30)24(20)113418(26)27h510122028H3411H212H3(H2627)b2119+
MFCD03815782
ZINC000102862967
ZINC000102862973

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Available files

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