Vitas-M small molecule compound
7-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}-4-(trifluoromethyl)-2H-chromen-2-one
Catalog ID
STL536697
SMILES COc1c2c(CCN(C2C#CCOc2ccc3c(c2)oc(=O)cc3C(F)(F)F)C)cc2c1OCO2
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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 C25H20F3NO6 MW 487.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F3NO6/c1-29-8-7-14-10-20-23(34-13-33-20)24(31-2)22(14)18(29)4-3-9-32-15-5-6-16-17(25(26,27)28)12-21(30)35-19(16)11-15/h5-6,10-12,18H,7-9,13H2,1-2H3InChIKey
OASLOYFPHBGTSZ-UHFFFAOYSA-NSynonyms
858767-83-64257397
7((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)4(trifluoromethyl)2Hchromen2one
7(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynoxy)4(trifluoromethyl)chromen2one
7(3(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)PROP2YNOXY)4(TRIFLUOROMETHYL)CHROMEN2ONE
858767836
InChI=1SC25H20F3NO6c1298714102023(34133320)24(312)22(14)18(29)4393215561617(25(2627)28)1221(30)3519(16)1115h56101218H7913H212H3
MFCD02926111
ZINC000020411972
ZINC000020411976
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