Vitas-M small molecule compound
7-[(3-bromobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL538127
SMILES Brc1cccc(c1)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=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/c1-18-23-9-10-25(35-17-20-6-5-8-22(30)14-20)19(2)27(23)36-28(33)24(18)15-26(32)31-13-12-29(34)11-4-3-7-21(29)16-31/h5-6,8-10,14,21,34H,3-4,7,11-13,15-17H2,1-2H3InChIKey
PQKMVFXRBNUCHF-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)7((3bromophenyl)methoxy)48dimethylchromen2one
3837655
7((3bromobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
InChI=1SC29H32BrNO5c1182391025(35172065822(30)1420)19(2)27(23)3628(33)24(18)1526(32)31131229(34)1143721(29)1631h56810142134H34711131517H212H3
MFCD07212830
ZINC000002112378
ZINC000101103347
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