Vitas-M small molecule compound
7-[(3-bromobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL538115
SMILES Brc1cccc(c1)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 C29H32BrNO5 MW 554.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5/c1-19-24-9-8-23(35-18-20-5-4-7-22(30)15-20)16-26(24)36-28(33)25(19)10-11-27(32)31-14-13-29(34)12-3-2-6-21(29)17-31/h4-5,7-9,15-16,21,34H,2-3,6,10-14,17-18H2,1H3InChIKey
PQFRZMCRQJODBT-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((3bromophenyl)methoxy)4methylchromen2one
3427287
7((3bromobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
InChI=1SC29H32BrNO5c119249823(35182054722(30)1520)1626(24)3628(33)25(19)101127(32)31141329(34)1232621(29)1731h457915162134H23610141718H21H3
MFCD07207937
ZINC000002111765
ZINC000101103344
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