Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)ethynyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552965
SMILES COc1c2OCOc2cc2c1C(C#CC1(C)CCCC(O1)(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 C23H32NO4 MW 386.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32NO4/c1-22(2)10-7-11-23(3,28-22)12-8-17-19-16(9-13-24(17,4)5)14-18-20(21(19)25-6)27-15-26-18/h14,17H,7,9-11,13,15H2,1-6H3/q+1InChIKey
XPNINXWCURKQBU-UHFFFAOYSA-NSynonyms
3743041
4methoxy66dimethyl5((266trimethyltetrahydro2Hpyran2yl)ethynyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5((266trimethyltetrahydro2Hpyran2yl)ethynyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
4methoxy66dimethyl5(2(266trimethyloxan2yl)ethynyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
4METHOXY66DIMETHYL5(2(266TRIMETHYLOXAN2YL)ETHYNYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM
COc1c2OCOc2cc2c1C(C#CC1(C)CCCC(O1)(C)C)(N+)(CC2)(C)C(I)
InChI=1SC23H32NO4c122(2)1071123(32822)128171916(91324(174)5)141820(21(19)256)27152618h1417H79111315H216H3q+1
ZINC000001280228
ZINC000001280231
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