Vitas-M small molecule compound

3,4-dimethylphenyl 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK252993
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C(=O)Oc1ccc(c(c1)C)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 C24H25NO4 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO4/c1-14-7-10-20-21(11-14)23(27)25(22(20)26)18-6-4-5-17(13-18)24(28)29-19-9-8-15(2)16(3)12-19/h4-6,8-9,12-14,20-21H,7,10-11H2,1-3H3
InChIKey
FEMKVCCWUYLTBN-UHFFFAOYSA-N
Synonyms

(34dimethylphenyl)3(5methyl13dioxo3a45677ahexahydroisoindol2yl)benzoate
34dimethylphenyl3(5methyl13dioxooctahydro2Hisoindol2yl)benzoate
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC(=C(C=C4)C)C
InChI=1SC24H25NO4c1147102021(1114)23(27)25(22(20)26)1864517(1318)24(28)29199815(2)16(3)1219h468912142021H71011H213H3
MFCD02871166
ZINC000018099816
ZINC000102625600

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Available files

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