Vitas-M small molecule compound
7,7-dimethyl-2-(methylsulfanyl)-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium
Catalog ID
STL146938
SMILES CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC[N+](C3)(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 C18H20N3OS2 MW 358.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N3OS2/c1-21(2)10-9-13-14(11-21)24-16-15(13)17(22)20(18(19-16)23-3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3/q+1InChIKey
ZWJVXSMNDWIKCQ-UHFFFAOYSA-NSynonyms
77dimethyl2(methylsulfanyl)4oxo3phenyl345678hexahydropyrido(4345)thieno(23d)pyrimidin7ium
77dimethyl2(methylthio)4oxo3phenyl345678hexahydropyrido(4345)thieno(23d)pyrimidin7iumiodide
77dimethyl2methylsulfanyl3phenyl68dihydro5Hpyrido(23)thieno(24b)pyrimidin7ium4one
C(N+)1(CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C4=CC=CC=C4)C
CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(N+)(C3)(C)C
CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(N+)(C3)(C)C(I)
InChI=1SC18H20N3OS2c121(2)1091314(1121)241615(13)17(22)20(18(1916)233)127546812h48H911H213H3q+1
MFCD01557868
ZINC000001243469
ZINC01243469
ZINC1243469
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