Vitas-M small molecule compound

[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid

Catalog ID
STK573855
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC(=O)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 C21H18N2O8 MW 426.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O8/c1-2-31-15-9-5-13(6-10-15)19(26)17-18(12-3-7-14(8-4-12)23(29)30)22(11-16(24)25)21(28)20(17)27/h3-10,18,26H,2,11H2,1H3,(H,24,25)/b19-17+
InChIKey
AFTCQWMDAGOMEO-HTXNQAPBSA-N
Synonyms
844648-78-8
((3E)3((4ethoxyphenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)aceticacid
2((3E)3((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)2(4NITROPHENYL)45DIOXOPYRROLIDIN1YL)ACETICACID
844648788
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(=O)O)C3=CC=C(C=C3)(N+)(=O)(O))O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CC(=O)O)O
InChI=1SC21H18N2O8c1231159513(61015)19(26)1718(123714(8412)23(29)30)22(1116(24)25)21(28)20(17)27h3101826H211H21H3(H2425)b1917+
MFCD07199337
ZINC000102573256
ZINC000102573262

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.