Vitas-M small molecule compound
5-[(S)-[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](pyridinium-4-yl)methyl]-6-oxo-1-(prop-2-en-1-yl)-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK033124
SMILES C=CCn1c(=S)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=S)n(c1=O)CC=C)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)/t12-/m1/s1InChIKey
TVSKGDCXKUKXFJ-GFCCVEGCSA-NSynonyms
(S)1allyl5((1allyl6hydroxy4oxo2thioxo1234tetrahydropyrimidin5yl)(pyridin1ium4yl)methyl)6oxo2thioxo1236tetrahydropyrimidin4olate
5((S)(6hydroxy4oxo1(prop2en1yl)2thioxo1234tetrahydropyrimidin5yl)(pyridinium4yl)methyl)6oxo1(prop2en1yl)2thioxo1236tetrahydropyrimidin4olate
C=CCn1c(=S)(nH)c(=O)c(c1O)(C@@H)(c1c((O))(nH)c(=S)n(c1=O)CC=C)C1=CC=(NH+)C=C1
C=CCn1c(=S)(nH)c(=O)c(c1O)(C@@H)(c1c((O))(nH)c(=S)n(c1=O)CC=C)c1cc(nH+)cc1
MFCD07773249
STK033124
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