Vitas-M small molecule compound
5-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552952
SMILES COc1c2OCOc2cc2c1C(CC(=O)CCc1ccc(cc1)O)[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/C23H27NO5/c1-24(2)11-10-16-12-20-22(29-14-28-20)23(27-3)21(16)19(24)13-18(26)9-6-15-4-7-17(25)8-5-15/h4-5,7-8,12,19H,6,9-11,13-14H2,1-3H3/p+1InChIKey
AWKXAOFEYOIQGV-UHFFFAOYSA-OSynonyms
3844672
4(4hydroxyphenyl)1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)butan2one
4(4HYDROXYPHENYL)1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)BUTAN2ONE
5(4(4hydroxyphenyl)2oxobutyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(4(4hydroxyphenyl)2oxobutyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)CCc1ccc(cc1)O)(N+)(CC2)(C)C(I)
InChI=1SC23H27NO5c124(2)111016122022(29142820)23(273)21(16)19(24)1318(26)96154717(25)8515h45781219H69111314H213H3p+1
ZINC000001280308
ZINC000001280309
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