Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-(4-methyl-2-oxopent-3-en-1-yl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553063
SMILES COc1c2OCOc2cc2c1C(CC(=O)C=C(C)C)[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 C19H26NO4 MW 332.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26NO4/c1-12(2)8-14(21)10-15-17-13(6-7-20(15,3)4)9-16-18(19(17)22-5)24-11-23-16/h8-9,15H,6-7,10-11H2,1-5H3/q+1InChIKey
RCGNQIQZSCIAIH-UHFFFAOYSA-NSynonyms
1(4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)4methylpent3en2one
1(4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)4METHYLPENT3EN2ONE
3823051
4methoxy66dimethyl5(4methyl2oxopent3en1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(4methyl2oxopent3en1yl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
COc1c2OCOc2cc2c1C(CC(=O)C=C(C)C)(N+)(CC2)(C)C(I)
InChI=1SC19H26NO4c112(2)814(21)10151713(6720(153)4)91618(19(17)225)24112316h8915H671011H215H3q+1
ZINC000000526448
ZINC000000526449
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