Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[2-oxo-2-(thiophen-2-yl)ethyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552816
SMILES COc1c2OCOc2cc2c1C(CC(=O)c1cccs1)[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 C19H22NO4S MW 360.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22NO4S/c1-20(2)7-6-12-9-15-18(24-11-23-15)19(22-3)17(12)13(20)10-14(21)16-5-4-8-25-16/h4-5,8-9,13H,6-7,10-11H2,1-3H3/q+1InChIKey
QDGLDIWXMNATGY-UHFFFAOYSA-NSynonyms
2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)1thiophen2ylethanone
2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)1THIOPHEN2YLETHANONE
3730426
4methoxy66dimethyl5(2oxo2(thiophen2yl)ethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(2oxo2(thiophen2yl)ethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)c1cccs1)(N+)(CC2)(C)C(I)
InChI=1SC19H22NO4Sc120(2)761291518(24112315)19(223)17(12)13(20)1014(21)165482516h458913H671011H213H3q+1
ZINC000001280354
ZINC000001280355
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