Vitas-M small molecule compound

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

Catalog ID
STK286921
SMILES O=C1N(c2cccc(c2)c2nc3ccccc3c(c2)C(=O)OCC(=O)c2ccc(c(c2)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 C35H30N2O5 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O5/c1-19-10-11-22(14-20(19)2)30(38)18-42-35(41)27-17-29(36-28-9-4-3-8-26(27)28)21-6-5-7-25(16-21)37-33(39)31-23-12-13-24(15-23)32(31)34(37)40/h3-11,14,16-17,23-24,31-32H,12-13,15,18H2,1-2H3
InChIKey
UYOCQNAOEOTEIC-UHFFFAOYSA-N
Synonyms

2(34dimethylphenyl)2oxoethyl2(3(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C(=O)C6C7CCC(C7)C6C5=O)C
InChI=1SC35H30N2O5c119101122(1420(19)2)30(38)184235(41)271729(3628943826(27)28)2165725(1621)3733(39)3123121324(1523)32(31)34(37)40h31114161723243132H12131518H212H3
MFCD03648884
ZINC000102517232
ZINC000239425657

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Available files

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