Vitas-M small molecule compound
6-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Catalog ID
STK562270
SMILES OC(=O)CCCCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccccc2)\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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c26-18(27)12-5-2-6-13-24-20(16-10-7-11-17(14-16)25(31)32)19(22(29)23(24)30)21(28)15-8-3-1-4-9-15/h1,3-4,7-11,14,20,28H,2,5-6,12-13H2,(H,26,27)/b21-19+InChIKey
JJJOXEDWHXPOPG-XUTLUUPISA-NSynonyms
332394-56-6332394566
6((3E)3(hydroxy(phenyl)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)hexanoicacid
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCCCC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O))O
InChI=1SC23H22N2O7c2618(27)12526132420(161071117(1416)25(31)32)19(22(29)23(24)30)21(28)158314915h134711142028H2561213H2(H2627)b2119+
MFCD03817941
OC(=O)CCCCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccccc2)O)C(=O)C1=O
ZINC000102511167
ZINC000102511177
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