Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[2-(3-methyl-2-oxotetrahydrofuran-3-yl)-2-oxoethyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552902
SMILES COc1c2OCOc2cc2c1C(CC(=O)C1(C)CCOC1=O)[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 C20H26NO6 MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26NO6/c1-20(6-8-25-19(20)23)15(22)10-13-16-12(5-7-21(13,2)3)9-14-17(18(16)24-4)27-11-26-14/h9,13H,5-8,10-11H2,1-4H3/q+1InChIKey
HNTNLQJHNKDNPJ-UHFFFAOYSA-NSynonyms
3(2(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)acetyl)3methyloxolan2one
3(2(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)ACETYL)3METHYLOXOLAN2ONE
4methoxy66dimethyl5(2(3methyl2oxotetrahydrofuran3yl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(2(3methyl2oxotetrahydrofuran3yl)2oxoethyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5113175
COc1c2OCOc2cc2c1C(CC(=O)C1(C)CCOC1=O)(N+)(CC2)(C)C(I)
InChI=1SC20H26NO6c120(682519(20)23)15(22)10131612(5721(132)3)91417(18(16)244)27112614h913H581011H214H3q+1
ZINC000001280274
ZINC000001280277
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