Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-{2-[4-(methylsulfanyl)phenyl]-2-oxoethyl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552938
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)SC)[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 C22H26NO4S MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26NO4S/c1-23(2)10-9-15-11-19-21(27-13-26-19)22(25-3)20(15)17(23)12-18(24)14-5-7-16(28-4)8-6-14/h5-8,11,17H,9-10,12-13H2,1-4H3/q+1InChIKey
KNMVEHBBLOMFMJ-UHFFFAOYSA-NSynonyms
2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)1(4methylsulfanylphenyl)ethanone
2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)1(4METHYLSULFANYLPHENYL)ETHANONE
4551742
4methoxy66dimethyl5(2(4(methylsulfanyl)phenyl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(2(4(methylthio)phenyl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)SC)(N+)(CC2)(C)C(I)
InChI=1SC22H26NO4Sc123(2)10915111921(27132619)22(253)20(15)17(23)1218(24)145716(284)8614h581117H9101213H214H3q+1
ZINC000001280143
ZINC000001280144
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