Vitas-M small molecule compound

4-methoxy-6-methyl-N-(2-methylphenyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carbimidothioate

Catalog ID
STL527100
SMILES COc1c2OCOc2cc2c1C(/C(=N/c1ccccc1C)/[S-])[NH+](CC2)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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-12-6-4-5-7-14(12)21-20(26)17-16-13(8-9-22(17)2)10-15-18(19(16)23-3)25-11-24-15/h4-7,10,17H,8-9,11H2,1-3H3,(H,21,26)
InChIKey
YHVVMWZFOQHJRK-UHFFFAOYSA-N
Synonyms
858769-60-5
3701268
4methoxy6methyl~(N)(2methylphenyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5carboximidothioate
4methoxy6methylN(2methylphenyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5carbimidothioate
858769605
InChI=1SC20H22N2O3Sc112645714(12)2120(26)171613(8922(17)2)101518(19(16)233)25112415h471017H8911H213H3(H2126)
MFCD31753818
ZINC000006237995
ZINC000006238000

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Available files

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