Vitas-M small molecule compound

2-(4-hydroxyphenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK269643
SMILES Oc1ccc(cc1)N1C(=O)C2C(C1=O)CC(=CC2)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 C15H15NO3 MW 257.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO3/c1-9-2-7-12-13(8-9)15(19)16(14(12)18)10-3-5-11(17)6-4-10/h2-6,12-13,17H,7-8H2,1H3
InChIKey
GIVXFXGDOUICSV-UHFFFAOYSA-N
Synonyms

1HISOINDOLE13(2H)DIONE3A477ATETRAHYDRO2(4HYDROXYPHENYL)5METHYL
2(4hydroxyphenyl)5methyl3a477atetrahydro1Hisoindole13(2H)dione
2(4HYDROXYPHENYL)5METHYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)O
InChI=1SC15H15NO3c19271213(89)15(19)16(14(12)18)103511(17)6410h26121317H78H21H3
MFCD00195774
ZINC000017986975
ZINC000100012449

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Available files

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