Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-7-{[3-(trifluoromethyl)benzyl]oxy}-2H-chromen-2-one
Catalog ID
STL536624
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2)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 C30H32F3NO5 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32F3NO5/c1-19-24-9-8-23(38-18-20-5-4-7-21(15-20)30(31,32)33)16-26(24)39-28(36)25(19)10-11-27(35)34-14-13-29(37)12-3-2-6-22(29)17-34/h4-5,7-9,15-16,22,37H,2-3,6,10-14,17-18H2,1H3InChIKey
ZAKLSBCWXPZRBA-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)4methyl7((3(trifluoromethyl)phenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((3(trifluoromethyl)benzyl)oxy)2Hchromen2one
3826357
InChI=1SC30H32F3NO5c119249823(38182054721(1520)30(3132)33)1626(24)3928(36)25(19)101127(35)34141329(37)1232622(29)1734h457915162237H23610141718H21H3
MFCD31754476
ZINC000002111382
ZINC000107305963
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