Vitas-M small molecule compound
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552922
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c(c1)OCO3)[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 C22H24NO6 MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24NO6/c1-23(2)7-6-14-9-19-21(29-12-28-19)22(25-3)20(14)15(23)10-16(24)13-4-5-17-18(8-13)27-11-26-17/h4-5,8-9,15H,6-7,10-12H2,1-3H3/q+1InChIKey
WLUFFQSGSGIQMG-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(13BENZODIOXOL5YL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3848944
5(2(13benzodioxol5yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(benzo(d)(13)dioxol5yl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c(c1)OCO3)(N+)(CC2)(C)C(I)
InChI=1SC22H24NO6c123(2)761491921(29122819)22(253)20(14)15(23)1016(24)13451718(813)27112617h458915H671012H213H3q+1
ZINC000002118508
ZINC000002118510
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