Vitas-M small molecule compound

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

Catalog ID
STL181652
SMILES CCCCC(CN1C(=O)C(=C(C1c1ccc(cc1)OCC)C(=O)C)O)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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-5-8-9-16(6-2)14-23-20(19(15(4)24)21(25)22(23)26)17-10-12-18(13-11-17)27-7-3/h10-13,16,20,25H,5-9,14H2,1-4H3
InChIKey
WUMHSORBRHXWCU-UHFFFAOYSA-N
Synonyms

3acetyl2(4ethoxyphenyl)1(2ethylhexyl)4hydroxy2Hpyrrol5one
4acetyl5(4ethoxyphenyl)1(2ethylhexyl)3hydroxy15dihydro2Hpyrrol2one
CCCCC(CC)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)OCC
InChI=1SC22H31NO4c158916(62)142320(19(15(4)24)21(25)22(23)26)17101218(131117)2773h1013162025H5914H214H3
MFCD08557971
ZINC000019923545
ZINC000019923551

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Available files

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