Vitas-M small molecule compound

4-acetyl-5-(1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK759633
SMILES CCCCCCN1C(c2ccc3c(c2)OCO3)C(=C(C1=O)O)C(=O)C

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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 C19H23NO5 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5/c1-3-4-5-6-9-20-17(16(12(2)21)18(22)19(20)23)13-7-8-14-15(10-13)25-11-24-14/h7-8,10,17,22H,3-6,9,11H2,1-2H3
InChIKey
QSSRFIRPIYTBRR-UHFFFAOYSA-N
Synonyms

3ACETYL2(13BENZODIOXOL5YL)1HEXYL4HYDROXY2HPYRROL5ONE
4acetyl5(13benzodioxol5yl)1hexyl3hydroxy15dihydro2Hpyrrol2one
4ACETYL5BENZO(13)DIOXOL5YL1HEXYL3HYDROXY15DIHYDROPYRROL2ONE
CCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC3=C(C=C2)OCO3
InChI=1SC19H23NO5c1345692017(16(12(2)21)18(22)19(20)23)13781415(1013)25112414h78101722H36911H212H3
MFCD01541669
ZINC000002462592
ZINC000002462596

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Available files

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