Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-(3-phenoxyprop-1-yn-1-yl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553350
SMILES COc1c2OCOc2cc2c1C(C#CCOc1ccccc1)[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 C22H24NO4 MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24NO4/c1-23(2)12-11-16-14-19-21(27-15-26-19)22(24-3)20(16)18(23)10-7-13-25-17-8-5-4-6-9-17/h4-6,8-9,14,18H,11-13,15H2,1-3H3/q+1InChIKey
YKUYFIJUZLOUPA-UHFFFAOYSA-NSynonyms
16407653
4methoxy66dimethyl5(3phenoxyprop1yn1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(3phenoxyprop1yn1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
4methoxy66dimethyl5(3phenoxyprop1ynyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
COc1c2OCOc2cc2c1C(C#CCOc1ccccc1)(N+)(CC2)(C)C(I)
InChI=1SC22H24NO4c123(2)121116141921(27152619)22(243)20(16)18(23)1071325178546917h46891418H111315H213H3q+1
ZINC000008879456
ZINC000008879459
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