Vitas-M small molecule compound
5-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552923
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1O)OC)[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 C22H26NO6 MW 400.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6/c1-23(2)8-7-13-9-19-21(29-12-28-19)22(27-4)20(13)16(23)11-18(25)15-6-5-14(26-3)10-17(15)24/h5-6,9-10,16H,7-8,11-12H2,1-4H3/p+1InChIKey
YXOQQELLLVAKEN-UHFFFAOYSA-OSynonyms
1(2hydroxy4methoxyphenyl)2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)ethanone
1(2HYDROXY4METHOXYPHENYL)2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ETHANONE
4587428
5(2(2hydroxy4methoxyphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(2(2hydroxy4methoxyphenyl)2oxoethyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1O)OC)(N+)(CC2)(C)C(I)
InChI=1SC22H25NO6c123(2)871391921(29122819)22(274)20(13)16(23)1118(25)156514(263)1017(15)24h5691016H781112H214H3p+1
ZINC000001279995
ZINC000001279996
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