Vitas-M small molecule compound
5-[3-(4-fluorophenoxy)prop-1-yn-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553349
SMILES COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1)F)[N+](CC2)(C)C
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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 C22H23FNO4 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FNO4/c1-24(2)11-10-15-13-19-21(28-14-27-19)22(25-3)20(15)18(24)5-4-12-26-17-8-6-16(23)7-9-17/h6-9,13,18H,10-12,14H2,1-3H3/q+1InChIKey
OPABYATVNJSWTD-UHFFFAOYSA-NSynonyms
16408623
5(3(4fluorophenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(3(4fluorophenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5(3(4fluorophenoxy)prop1ynyl)4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1)F)(N+)(CC2)(C)C(I)
InChI=1SC22H23FNO4c124(2)111015131921(28142719)22(253)20(15)18(24)541226178616(23)7917h691318H101214H213H3q+1
ZINC000008764443
ZINC000008764444
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