Vitas-M small molecule compound

3,4-dimethylphenyl 3-(1,3-dioxo-5-phenyloctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK387096
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)CC(CC2)c1ccccc1)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 C29H27NO4 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4/c1-18-11-13-24(15-19(18)2)34-29(33)22-9-6-10-23(16-22)30-27(31)25-14-12-21(17-26(25)28(30)32)20-7-4-3-5-8-20/h3-11,13,15-16,21,25-26H,12,14,17H2,1-2H3
InChIKey
KAEGWTLQBQGRIQ-UHFFFAOYSA-N
Synonyms

(34dimethylphenyl)3(13dioxo5phenyl3a45677ahexahydroisoindol2yl)benzoate
34dimethylphenyl3(13dioxo5phenyloctahydro2Hisoindol2yl)benzoate
CC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CCC(CC4C3=O)C5=CC=CC=C5)C
InChI=1SC29H27NO4c118111324(1519(18)2)3429(33)22961023(1622)3027(31)25141221(1726(25)28(30)32)207435820h311131516212526H121417H212H3
MFCD04042391
ZINC000101974404
ZINC000239125158

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Available files

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