Vitas-M small molecule compound
5-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552874
SMILES COc1c2OCOc2cc2c1C(c1nnnn1c1c(C)cccc1C)[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 C22H26N5O3 MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N5O3/c1-13-7-6-8-14(2)18(13)26-22(23-24-25-26)19-17-15(9-10-27(19,3)4)11-16-20(21(17)28-5)30-12-29-16/h6-8,11,19H,9-10,12H2,1-5H3/q+1InChIKey
VJJNOKPDUVUYNE-UHFFFAOYSA-NSynonyms
4264494
5(1(26dimethylphenyl)1Htetrazol5yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(1(26dimethylphenyl)1Htetrazol5yl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
5(1(26dimethylphenyl)tetrazol5yl)4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium
5(1(26DIMETHYLPHENYL)TETRAZOL5YL)4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM
COc1c2OCOc2cc2c1C(c1nnnn1c1c(C)cccc1C)(N+)(CC2)(C)C(I)
InChI=1SC22H26N5O3c11376814(2)18(13)2622(23242526)191715(91027(193)4)111620(21(17)285)30122916h681119H91012H215H3q+1
ZINC000004028909
ZINC000004028910
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