Vitas-M small molecule compound
methyl 4-{3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Catalog ID
STK690098
SMILES COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1C[C@@H]2[C@H](C1)CC=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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-26-20(25)13-6-8-16(9-7-13)22-18(23)10-17(19(22)24)21-11-14-4-2-3-5-15(14)12-21/h2-3,6-9,14-15,17H,4-5,10-12H2,1H3/t14-,15+,17?InChIKey
FTJJJXLDIWIXET-FKEKPDDDSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC4CC=CCC4C3
COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1C(C@@H)2(C@H)(C1)CC=CC2
InChI=1SC20H22N2O4c12620(25)136816(9713)2218(23)1017(19(22)24)211114423515(14)1221h2369141517H451012H21H3t1415+17?
methyl4(3((3aR7aS)133a477ahexahydro2Hisoindol2yl)25dioxopyrrolidin1yl)benzoate
methyl4(3((3aS7aR)133a477ahexahydroisoindol2yl)25dioxopyrrolidin1yl)benzoate
MFCD09063021
ZINC000012417822
ZINC000100225813
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