Vitas-M small molecule compound
5-{[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,4-dihydropyrimidin-5-yl](pyridinium-4-yl)methyl}-6-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-4-olate
Catalog ID
STK558815
SMILES C=CCn1c(S)nc(=O)c(c1O)C(c1c([O-])nc(n(c1=O)CC=C)S)c1cc[nH+]cc1
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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 C20H19N5O4S2 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S2/c1-3-9-24-17(28)13(15(26)22-19(24)30)12(11-5-7-21-8-6-11)14-16(27)23-20(31)25(10-4-2)18(14)29/h3-8,12,26,29H,1-2,9-10H2,(H,22,30)(H,23,27,31)InChIKey
TVSKGDCXKUKXFJ-UHFFFAOYSA-NSynonyms
5((6hydroxy4oxo1(prop2en1yl)2sulfanyl14dihydropyrimidin5yl)(pyridinium4yl)methyl)6oxo1(prop2en1yl)2sulfanyl16dihydropyrimidin4olate
C=CCn1c(S)nc(=O)c(c1O)C(c1c((O))nc(n(c1=O)CC=C)S)c1cc(nH+)cc1
MFCD18243118
ZINC000015856879
ZINC000095483367
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