Vitas-M small molecule compound
5-[2-(4-ethylphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552988
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC)[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 C23H28NO4 MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28NO4/c1-5-15-6-8-16(9-7-15)19(25)13-18-21-17(10-11-24(18,2)3)12-20-22(23(21)26-4)28-14-27-20/h6-9,12,18H,5,10-11,13-14H2,1-4H3/q+1InChIKey
QZLXMUPEAKOXGI-UHFFFAOYSA-NSynonyms
1(4ethylphenyl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(4ETHYLPHENYL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
3378280
5(2(4ethylphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(4ethylphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC)(N+)(CC2)(C)C(I)
InChI=1SC23H28NO4c15156816(9715)19(25)13182117(101124(182)3)122022(23(21)264)28142720h691218H510111314H214H3q+1
ZINC000001322664
ZINC000001322665
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