Vitas-M small molecule compound

5-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL552942
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1C)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 C23H28NO4 MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28NO4/c1-14-6-7-17(15(2)10-14)19(25)12-18-21-16(8-9-24(18,3)4)11-20-22(23(21)26-5)28-13-27-20/h6-7,10-11,18H,8-9,12-13H2,1-5H3/q+1
InChIKey
SCKGIUIRENIDOM-UHFFFAOYSA-N
Synonyms

1(24dimethylphenyl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(24DIMETHYLPHENYL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3702320
5(2(24dimethylphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(24dimethylphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1C)C)(N+)(CC2)(C)C(I)
InChI=1SC23H28NO4c1146717(15(2)1014)19(25)12182116(8924(183)4)112022(23(21)265)28132720h67101118H891213H215H3q+1
ZINC000001280013
ZINC000001280014

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Available files

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