Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-{[3-(trifluoromethyl)benzyl]oxy}-2H-chromen-2-one
Catalog ID
STL538215
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cccc(c1)C(F)(F)F
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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 C31H34F3NO5 MW 557.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34F3NO5/c1-19-24-9-11-26(39-18-21-6-5-8-22(16-21)31(32,33)34)20(2)28(24)40-29(37)25(19)10-12-27(36)35-15-14-30(38)13-4-3-7-23(30)17-35/h5-6,8-9,11,16,23,38H,3-4,7,10,12-15,17-18H2,1-2H3InChIKey
OVHKZEPIUONYQG-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)48dimethyl7((3(trifluoromethyl)phenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((3(trifluoromethyl)benzyl)oxy)2Hchromen2one
3752854
InChI=1SC31H34F3NO5c1192491126(39182165822(1621)31(3233)34)20(2)28(24)4029(37)25(19)101227(36)35151430(38)1343723(30)1735h568911162338H3471012151718H212H3
MFCD07211426
ZINC000002111644
ZINC000103519825
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