Vitas-M small molecule compound

1-hexyl-3-hydroxy-4-(phenylcarbonyl)-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK762182
SMILES CCCCCCN1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccccc1

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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 C26H31NO3 MW 405.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO3/c1-4-5-6-10-17-27-23(20-15-13-19(14-16-20)18(2)3)22(25(29)26(27)30)24(28)21-11-8-7-9-12-21/h7-9,11-16,18,23,29H,4-6,10,17H2,1-3H3
InChIKey
SKBKDVYAAOUTAL-UHFFFAOYSA-N
Synonyms

1hexyl3hydroxy4(phenylcarbonyl)5(4(propan2yl)phenyl)15dihydro2Hpyrrol2one
4benzoyl1hexyl3hydroxy5(4isopropylphenyl)1Hpyrrol2(5H)one
MFCD01872696
ZINC000009363571
ZINC000009363572

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Available files

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