Vitas-M small molecule compound
5-(3-hydroxy-3-methylbut-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
STL553346
SMILES COc1c2OCOc2cc2c1C(C#CC(O)(C)C)[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 C18H24NO4 MW 318.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24NO4/c1-18(2,20)8-6-13-15-12(7-9-19(13,3)4)10-14-16(17(15)21-5)23-11-22-14/h10,13,20H,7,9,11H2,1-5H3/q+1InChIKey
IJGOOJXBQTUMDB-UHFFFAOYSA-NSynonyms
16407652
4(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)2methylbut3yn2ol
5(3hydroxy3methylbut1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(3hydroxy3methylbut1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(C#CC(O)(C)C)(N+)(CC2)(C)C(I)
InChI=1SC18H24NO4c118(220)86131512(7919(133)4)101416(17(15)215)23112214h101320H7911H215H3q+1
ZINC000008879451
ZINC000008879453
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