Vitas-M small molecule compound
4-methoxy-5-[3-(4-methoxyphenyl)-2-oxopropyl]-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552846
SMILES COc1c2OCOc2cc2c1C(CC(=O)Cc1ccc(cc1)OC)[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 C23H28NO5 MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28NO5/c1-24(2)10-9-16-12-20-22(29-14-28-20)23(27-4)21(16)19(24)13-17(25)11-15-5-7-18(26-3)8-6-15/h5-8,12,19H,9-11,13-14H2,1-4H3/q+1InChIKey
PRYBKAJFMKIXDT-UHFFFAOYSA-NSynonyms
1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)3(4methoxyphenyl)propan2one
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)3(4METHOXYPHENYL)PROPAN2ONE
3837174
4methoxy5(3(4methoxyphenyl)2oxopropyl)66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy5(3(4methoxyphenyl)2oxopropyl)66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)Cc1ccc(cc1)OC)(N+)(CC2)(C)C(I)
InChI=1SC23H28NO5c124(2)10916122022(29142820)23(274)21(16)19(24)1317(25)11155718(263)8615h581219H9111314H214H3q+1
ZINC000001280380
ZINC000001280381
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