Vitas-M small molecule compound
7-[(4-bromo-2-fluorobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL032924
SMILES Brc1ccc(c(c1)F)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 C29H31BrFNO5 MW 572.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrFNO5/c1-17-22-8-9-25(36-16-19-6-7-21(30)13-24(19)31)18(2)27(22)37-28(34)23(17)14-26(33)32-12-11-29(35)10-4-3-5-20(29)15-32/h6-9,13,20,35H,3-5,10-12,14-16H2,1-2H3InChIKey
HXZOWPQHDBAFFH-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((4bromo2fluorophenyl)methoxy)48dimethylchromen2one
7((4bromo2fluorobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)Br)F)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H31BrFNO5c117228925(3616196721(30)1324(19)31)18(2)27(22)3728(34)23(17)1426(33)32121129(35)1043520(29)1532h69132035H3510121416H212H3
MFCD05733359
ZINC000011867109
ZINC000011867112
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