Vitas-M small molecule compound

1-(butan-2-yl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-4-oxo-1,4-dihydropyrimidine-2-thiolate

Catalog ID
STL564925
SMILES CCC(n1c([S-])nc(=O)c(c1O)C1OCc2c1c(O)c([nH+]c2)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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-4-7(2)19-15(22)11(14(21)18-16(19)24)13-10-9(6-23-13)5-17-8(3)12(10)20/h5,7,13,20,22H,4,6H2,1-3H3,(H,18,21,24)
InChIKey
IAEWABWESGTFLQ-UHFFFAOYSA-N
Synonyms
1190240-12-0
1(butan2yl)6hydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin5ium1yl)4oxo14dihydropyrimidine2thiolate
1(SECBUTYL)6HYDROXY5(7HYDROXY6METHYL13DIHYDROFURO(34C)PYRIDIN1YL)2THIOXO23DIHYDROPYRIMIDIN4(1H)ONE
1190240120
1butan2yl6hydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)2sulfanylidenepyrimidin4one
3431347
InChI=1SC16H19N3O4Sc147(2)1915(22)11(14(21)1816(19)24)13109(62313)5178(3)12(10)20h57132022H46H213H3(H182124)
MFCD32651607
ZINC000000487850
ZINC000000487853

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Available files

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