Vitas-M small molecule compound

4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STL181653
SMILES CCCCC(CN1C(c2cccc(c2)OC)C(=C(C1=O)O)C(=O)C)CC

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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 C21H29NO4 MW 359.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO4/c1-5-7-9-15(6-2)13-22-19(16-10-8-11-17(12-16)26-4)18(14(3)23)20(24)21(22)25/h8,10-12,15,19,24H,5-7,9,13H2,1-4H3
InChIKey
YUIAOTDSUUDFEL-UHFFFAOYSA-N
Synonyms

3acetyl1(2ethylhexyl)4hydroxy2(3methoxyphenyl)2Hpyrrol5one
4acetyl1(2ethylhexyl)3hydroxy5(3methoxyphenyl)15dihydro2Hpyrrol2one
CCCCC(CC)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)OC
InChI=1SC21H29NO4c157915(62)132219(161081117(1216)264)18(14(3)23)20(24)21(22)25h81012151924H57913H214H3
MFCD08557743
ZINC000019923530
ZINC000019923536

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Available files

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