Vitas-M small molecule compound
5-(2-hydroxy-2-phenylethyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552977
SMILES COc1c2OCOc2cc2c1C(CC(c1ccccc1)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 C21H26NO4 MW 356.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26NO4/c1-22(2)10-9-15-11-18-20(26-13-25-18)21(24-3)19(15)16(22)12-17(23)14-7-5-4-6-8-14/h4-8,11,16-17,23H,9-10,12-13H2,1-3H3/q+1InChIKey
HKKUIVVPJZPTPV-UHFFFAOYSA-NSynonyms
2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)1phenylethanol
2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)1PHENYLETHANOL
3823121
5(2hydroxy2phenylethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2hydroxy2phenylethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(c1ccccc1)O)(N+)(CC2)(C)C(I)
InChI=1SC21H26NO4c122(2)10915111820(26132518)21(243)19(15)16(22)1217(23)147546814h4811161723H9101213H213H3q+1
ZINC000001321671
ZINC000001321674
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