Vitas-M small molecule compound
5-[3-(2-carbamoylphenoxy)prop-1-yn-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553344
SMILES COc1c2OCOc2cc2c1C(C#CCOc1ccccc1C(=O)N)[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 C23H25N2O5 MW 409.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5/c1-25(2)11-10-15-13-19-21(30-14-29-19)22(27-3)20(15)17(25)8-6-12-28-18-9-5-4-7-16(18)23(24)26/h4-5,7,9,13,17H,10-12,14H2,1-3H3,(H-,24,26)/p+1InChIKey
PRZSPDZDCCTWHL-UHFFFAOYSA-OSynonyms
16408334
2(3(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)prop2ynoxy)benzamide
5(3(2carbamoylphenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(3(2carbamoylphenoxy)prop1yn1yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(C#CCOc1ccccc1C(=O)N)(N+)(CC2)(C)C(I)
InChI=1SC23H24N2O5c125(2)111015131921(30142919)22(273)20(15)17(25)86122818954716(18)23(24)26h45791317H101214H213H3(H2426)p+1
ZINC000012895909
ZINC000012895913
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