Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 2-[4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK286882
SMILES O=C1N(c2ccc(cc2)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/c1-19-7-8-22(15-20(19)2)30(38)18-42-35(41)27-17-29(36-28-6-4-3-5-26(27)28)21-11-13-25(14-12-21)37-33(39)31-23-9-10-24(16-23)32(31)34(37)40/h3-8,11-15,17,23-24,31-32H,9-10,16,18H2,1-2H3InChIKey
KTPWQHPGOBYXFD-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl2(4(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6C7CCC(C7)C6C5=O)C
InChI=1SC35H30N2O5c1197822(1520(19)2)30(38)184235(41)271729(3628643526(27)28)21111325(141221)3733(39)312391024(1623)32(31)34(37)40h3811151723243132H9101618H212H3
MFCD03648831
ZINC000100395749
ZINC000239128773
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