Vitas-M small molecule compound
7-[(2,4-dichlorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL537559
SMILES Clc1ccc(c(c1)Cl)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC2(C(C1)CCCC2)O
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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 C29H31Cl2NO5 MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31Cl2NO5/c1-18-23-8-7-22(36-17-19-5-6-21(30)14-25(19)31)15-26(23)37-28(34)24(18)9-10-27(33)32-13-12-29(35)11-3-2-4-20(29)16-32/h5-8,14-15,20,35H,2-4,9-13,16-17H2,1H3InChIKey
HJOJRKBMFNYSOY-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((24dichlorophenyl)methoxy)4methylchromen2one
3776734
7((24dichlorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
InChI=1SC29H31Cl2NO5c118238722(3617195621(30)1425(19)31)1526(23)3728(34)24(18)91027(33)32131229(35)1132420(29)1632h5814152035H249131617H21H3
MFCD31754504
ZINC000002109669
ZINC000107037822
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