Vitas-M small molecule compound
7-[(2-bromobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL537764
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1Br
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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 C30H34BrNO5 MW 568.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34BrNO5/c1-19-23-10-12-26(36-18-21-7-3-4-9-25(21)31)20(2)28(23)37-29(34)24(19)11-13-27(33)32-16-15-30(35)14-6-5-8-22(30)17-32/h3-4,7,9-10,12,22,35H,5-6,8,11,13-18H2,1-2H3InChIKey
HWPUWSOKNRYGNW-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((2bromophenyl)methoxy)48dimethylchromen2one
3469998
7((2bromobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
InChI=1SC30H34BrNO5c11923101226(361821734925(21)31)20(2)28(23)3729(34)24(19)111327(33)32161530(35)1465822(30)1732h347910122235H568111318H212H3
MFCD07211222
ZINC000002110007
ZINC000103520047
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