Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK258047
SMILES O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F
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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 C22H17ClF3NO5 MW 467.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClF3NO5/c1-21(2,3)17(28)10-32-20(31)11-4-6-13-14(8-11)19(30)27(18(13)29)16-9-12(22(24,25)26)5-7-15(16)23/h4-9H,10H2,1-3H3InChIKey
OGTRRCGCOWVTNK-UHFFFAOYSA-NSynonyms
439092-49-6(33DIMETHYL2OXOBUTYL)2(2CHLORO5(TRIFLUOROMETHYL)PHENYL)13DIOXOISOINDOLE5CARBOXYLATE
33dimethyl2oxobutyl2(2chloro5(trifluoromethyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
33DIMETHYL2OXOBUTYL2(2CHLORO5(TRIFLUOROMETHYL)PHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
439092496
CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC22H17ClF3NO5c121(23)17(28)103220(31)11461314(811)19(30)27(18(13)29)16912(22(2425)26)5715(16)23h49H10H213H3
MFCD03037783
ZINC000000992853
ZINC00992853
ZINC992853
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