Vitas-M small molecule compound
5-(3-hydroxy-3,5-dimethylhex-1-yn-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553037
SMILES COc1c2OCOc2cc2c1C(C#CC(CC(C)C)(O)C)[NH+](CC2)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 C20H28NO4 MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO4/c1-13(2)11-20(3,22)8-6-15-17-14(7-9-21(15)4)10-16-18(19(17)23-5)25-12-24-16/h10,13,15,22H,7,9,11-12H2,1-5H3/p+1InChIKey
WDWVQTOTLXZGON-UHFFFAOYSA-OSynonyms
1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)35dimethylhex1yn3ol5((R)3hydroxy35dimethylhex1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
5(3hydroxy35dimethylhex1yn1yl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
COc1c2OCOc2cc2c1C(C#CC(CC(C)C)(O)C)(NH+)(CC2)C(Cl)
Registry IDs
ZINC000020113498ZINC000034714394
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