Vitas-M small molecule compound

2-(3-hydroxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK842854
SMILES Oc1cccc(c1)N1C(=O)C2C(C1=O)C(C=CC2c1ccccc1)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 C26H21NO3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO3/c28-20-13-7-12-19(16-20)27-25(29)23-21(17-8-3-1-4-9-17)14-15-22(24(23)26(27)30)18-10-5-2-6-11-18/h1-16,21-24,28H
InChIKey
MSMNYVHIMRGVNV-UHFFFAOYSA-N
Synonyms
20929-52-6
2(3hydroxyphenyl)47diphenyl3a477atetrahydro1Hisoindole13(2H)dione
2(3HYDROXYPHENYL)47DIPHENYL3A477ATETRAHYDROISOINDOLE13DIONE
20929526
C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)C4=CC(=CC=C4)O)C5=CC=CC=C5
InChI=1SC26H21NO3c28201371219(1620)2725(29)2321(178314917)141522(24(23)26(27)30)18105261118h116212428H
MFCD02950060
ZINC000013582943
ZINC000239347322

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Available files

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