Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-{3-[(2-oxo-2H-chromen-7-yl)oxy]prop-1-yn-1-yl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553347
SMILES COc1c2OCOc2cc2c1C(C#CCOc1ccc3c(c1)oc(=O)cc3)[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 C25H24NO6 MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24NO6/c1-26(2)11-10-17-13-21-24(31-15-30-21)25(28-3)23(17)19(26)5-4-12-29-18-8-6-16-7-9-22(27)32-20(16)14-18/h6-9,13-14,19H,10-12,15H2,1-3H3/q+1InChIKey
FUFHEHOKQGEYGJ-UHFFFAOYSA-NSynonyms
16408191
4methoxy66dimethyl5(3((2oxo2Hchromen7yl)oxy)prop1yn1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(3((2oxo2Hchromen7yl)oxy)prop1yn1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
7(3(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)prop2ynoxy)chromen2one
COc1c2OCOc2cc2c1C(C#CCOc1ccc3c(c1)oc(=O)cc3)(N+)(CC2)(C)C(I)
InChI=1SC25H24NO6c126(2)111017132124(31153021)25(283)23(17)19(26)5412291886167922(27)3220(16)1418h69131419H101215H213H3q+1
ZINC000012894759
ZINC000012894767
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