Vitas-M small molecule compound

3,3-dimethyl-2-oxobutyl 2-[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate

Catalog ID
STK286908
SMILES O=C1N(c2cccc(c2)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(32-23-10-5-4-9-21(22)23)17-7-6-8-20(14-17)33-28(35)26-18-11-12-19(13-18)27(26)29(33)36/h4-10,14-15,18-19,26-27H,11-13,16H2,1-3H3
InChIKey
DDINUCUMNFNZLH-UHFFFAOYSA-N
Synonyms

33dimethyl2oxobutyl2(3(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)N4C(=O)C5C6CCC(C6)C5C4=O
InChI=1SC31H30N2O5c131(23)25(34)163830(37)221524(32231054921(22)23)1776820(1417)3328(35)2618111219(1318)27(26)29(33)36h410141518192627H111316H213H3
MFCD03648878
ZINC000102517348
ZINC000239038416

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Available files

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