Vitas-M small molecule compound
5-{[4,6-dihydroxy-1-(prop-2-en-1-yl)-2-thioxo-1,2-dihydropyrimidin-5-yl](4-methylphenyl)methyl}-6-hydroxy-3-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4(3H)-one
Catalog ID
STL037929
SMILES C=CCn1c(=S)nc(c(c1O)C(c1c(O)nc(n(c1=O)CC=C)S)c1ccc(cc1)C)O
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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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-4-10-25-19(29)15(17(27)23-21(25)31)14(13-8-6-12(3)7-9-13)16-18(28)24-22(32)26(11-5-2)20(16)30/h4-9,14,27,30H,1-2,10-11H2,3H3,(H,23,31)(H,24,28,32)InChIKey
XBPQJPPNVVVWTO-UHFFFAOYSA-NSynonyms
5((46dihydroxy1(prop2en1yl)2thioxo12dihydropyrimidin5yl)(4methylphenyl)methyl)6hydroxy3(prop2en1yl)2sulfanylpyrimidin4(3H)one
MFCD04081307
ZINC000018191851
ZINC000101031190
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Check stock on Vitas-MAvailable files
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