Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-[3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK286935
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)c1nc2ccccc2c(c1)C(=O)OCC(=O)C(C)(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 C31H32N2O5 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5/c1-18-12-13-22-23(14-18)29(36)33(28(22)35)20-9-7-8-19(15-20)26-16-24(21-10-5-6-11-25(21)32-26)30(37)38-17-27(34)31(2,3)4/h5-11,15-16,18,22-23H,12-14,17H2,1-4H3InChIKey
VDOWBOSFHWJPJN-UHFFFAOYSA-NSynonyms
(33dimethyl2oxobutyl)2(3(5methyl13dioxo3a45677ahexahydroisoindol2yl)phenyl)quinoline4carboxylate
33dimethyl2oxobutyl2(3(5methyl13dioxooctahydro2Hisoindol2yl)phenyl)quinoline4carboxylate
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C(C)(C)C
InChI=1SC31H32N2O5c11812132223(1418)29(36)33(28(22)35)2097819(1520)261624(2110561125(21)3226)30(37)381727(34)31(23)4h5111516182223H121417H214H3
MFCD03648897
ZINC000017988656
ZINC000239231216
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