Vitas-M small molecule compound
(2Z)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Catalog ID
STK591709
SMILES CCOc1cc(ccc1OC(F)F)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C21H19F2NO5 MW 403.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2NO5/c1-2-26-18-8-13(3-4-17(18)29-21(22)23)16(25)10-15-14-9-20-19(27-11-28-20)7-12(14)5-6-24-15/h3-4,7-10,21,24H,2,5-6,11H2,1H3/b15-10-InChIKey
QLISPKWAWHMTBT-GDNBJRDFSA-NSynonyms
904209-82-1(2Z)1(4(difluoromethoxy)3ethoxyphenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
(2Z)1(4(difluoromethoxy)3ethoxyphenyl)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)ethanone
(Z)1(4(difluoromethoxy)3ethoxyphenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
904209821
CCOC1=C(C=CC(=C1)C(=O)C=C2C3=CC4=C(C=C3CCN2)OCO4)OC(F)F
CCOc1cc(ccc1OC(F)F)C(=O)C=C1NCCc2c1cc1OCOc1c2
InChI=1SC21H19F2NO5c122618813(3417(18)2921(22)23)16(25)10151492019(27112820)712(14)562415h347102124H25611H21H3b1510
MFCD07639634
ZINC000005428034
ZINC05428034
ZINC5428034
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