Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-(3-chloro-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK258329
SMILES O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1C)Cl
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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 C22H20ClNO5 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5/c1-12-16(23)6-5-7-17(12)24-19(26)14-9-8-13(10-15(14)20(24)27)21(28)29-11-18(25)22(2,3)4/h5-10H,11H2,1-4H3InChIKey
PACOIFILMAMPJJ-UHFFFAOYSA-NSynonyms
(33DIMETHYL2OXOBUTYL)2(3CHLORO2METHYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
33dimethyl2oxobutyl2(3chloro2methylphenyl)13dioxo23dihydro1Hisoindole5carboxylate
33DIMETHYL2OXOBUTYL2(3CHLORO2METHYLPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C
InChI=1SC22H20ClNO5c11216(23)65717(12)2419(26)149813(1015(14)20(24)27)21(28)291118(25)22(23)4h510H11H214H3
MFCD03630780
ZINC000004553889
ZINC04553889
ZINC4553889
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