Vitas-M small molecule compound

(5E)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-1-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate

Catalog ID
STL528910
SMILES COc1c2c(CC[NH+](C2CN/C=C/2\C(=O)N=C(N(C2=O)C)[S-])C)cc2c1OCO2

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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 C19H22N4O5S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O5S/c1-22-5-4-10-6-13-15(28-9-27-13)16(26-3)14(10)12(22)8-20-7-11-17(24)21-19(29)23(2)18(11)25/h6-7,12,20H,4-5,8-9H2,1-3H3,(H,21,24,29)/b11-7+
InChIKey
DVAHYNACRKHJMN-YRNVUSSQSA-N
Synonyms

(5E)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)methyl)amino)methylidene)1methyl46dioxo1456tetrahydropyrimidine2thiolate
InChI=1SC19H22N4O5Sc122541061315(2892713)16(263)14(10)12(22)82071117(24)2119(29)23(2)18(11)25h671220H4589H213H3(H212429)b117+
MFCD31753909
ZINC000020412184
ZINC000100757733

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Available files

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