Vitas-M small molecule compound

9-bromo-6-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL553526
SMILES COc1cc(ccc1OC)C(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2Br)OCO1

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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 C22H25BrNO6 MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrNO6/c1-24(11-16(25)13-5-6-17(26-2)18(9-13)27-3)8-7-14-15(10-24)20(28-4)22-21(19(14)23)29-12-30-22/h5-6,9H,7-8,10-12H2,1-4H3/q+1
InChIKey
KADREOZCEIGVEL-UHFFFAOYSA-N
Synonyms

132351978
2(9bromo4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)1(34dimethoxyphenyl)ethanone
9bromo6(2(34dimethoxyphenyl)2oxoethyl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
9bromo6(2(34dimethoxyphenyl)2oxoethyl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
COc1cc(ccc1OC)C(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2Br)OCO1(Br)
InChI=1SC22H25BrNO6c124(1116(25)135617(262)18(913)273)871415(1024)20(284)2221(19(14)23)29123022h569H781012H214H3q+1
ZINC000824600134
ZINC000824600139

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Available files

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