Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-[4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK286911
SMILES O=C1N(c2ccc(cc2)c2nc3ccccc3c(c2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1C1CCC2C1
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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 C31H30N2O5 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O5/c1-31(2,3)25(34)16-38-30(37)22-15-24(32-23-7-5-4-6-21(22)23)17-10-12-20(13-11-17)33-28(35)26-18-8-9-19(14-18)27(26)29(33)36/h4-7,10-13,15,18-19,26-27H,8-9,14,16H2,1-3H3InChIKey
YREYSXZHWQSJMK-UHFFFAOYSA-NSynonyms
33dimethyl2oxobutyl2(4(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)N4C(=O)C5C6CCC(C6)C5C4=O
InChI=1SC31H30N2O5c131(23)25(34)163830(37)221524(3223754621(22)23)17101220(131117)3328(35)26188919(1418)27(26)29(33)36h4710131518192627H891416H213H3
MFCD03648901
ZINC000102517331
ZINC000245228022
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