Vitas-M small molecule compound
5-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553342
SMILES COc1cc(OC)ccc1C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1
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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 C23H28NO6 MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28NO6/c1-24(2)9-8-14-10-20-22(30-13-29-20)23(28-5)21(14)17(24)12-18(25)16-7-6-15(26-3)11-19(16)27-4/h6-7,10-11,17H,8-9,12-13H2,1-5H3/q+1InChIKey
JNSXOVUZTMHVDG-UHFFFAOYSA-NSynonyms
1(24dimethoxyphenyl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(24DIMETHOXYPHENYL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3749289
5(2(24dimethoxyphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(24dimethoxyphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1cc(OC)ccc1C(=O)CC1c2c(CC(N+)1(C)C)cc1c(c2OC)OCO1(I)
InChI=1SC23H28NO6c124(2)9814102022(30132920)23(285)21(14)17(24)1218(25)167615(263)1119(16)274h67101117H891213H215H3q+1
ZINC000002107540
ZINC000002107541
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