Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
Catalog ID
STK268979
SMILES O=C(CN1C(=O)C2C(C1=O)C1CC2C=C1)OCC(=O)c1ccc(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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-11-3-4-13(7-12(11)2)16(23)10-27-17(24)9-22-20(25)18-14-5-6-15(8-14)19(18)21(22)26/h3-7,14-15,18-19H,8-10H2,1-2H3InChIKey
XMRGTCFNMBVSFI-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl(13dioxo133a477ahexahydro2H47methanoisoindol2yl)acetate
CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)C
InChI=1SC21H21NO5c1113413(712(11)2)16(23)102717(24)92220(25)18145615(814)19(18)21(22)26h3714151819H810H212H3
MFCD01577473
ZINC000102068441
ZINC000102068449
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