Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK258534
SMILES O=C1N(c2cccc(c2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1CC=CC2
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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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-21(2,3)17(23)12-27-20(26)13-7-6-8-14(11-13)22-18(24)15-9-4-5-10-16(15)19(22)25/h4-8,11,15-16H,9-10,12H2,1-3H3InChIKey
WJZRGMQEFVAEME-UHFFFAOYSA-NSynonyms
(33DIMETHYL2OXOBUTYL)3(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
33DIMETHYL2OXOBUTYL3((3AR7AR)13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
33DIMETHYL2OXOBUTYL3((3AS7AS)13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
33dimethyl2oxobutyl3(13dioxo133a477ahexahydro2Hisoindol2yl)benzoate
33DIMETHYL2OXOBUTYL3(13DIOXO473A7ATETRAHYDROISOINDOL2YL)BENZOATE
CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=CCC3C2=O
InChI=1SC21H23NO5c121(23)17(23)122720(26)1376814(1113)2218(24)159451016(15)19(22)25h48111516H91012H213H3
MFCD03037770
ZINC000013856207
ZINC000101228699
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