Vitas-M small molecule compound
5,5'-[(4-fluorophenyl)methanediyl]bis[6-hydroxy-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4(1H)-one]
Catalog ID
STL341202
SMILES C=CCSc1nc(=O)c(c([nH]1)O)C(c1c(O)[nH]c(nc1=O)SCC=C)c1ccc(cc1)F
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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 C21H19FN4O4S2 MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O4S2/c1-3-9-31-20-23-16(27)14(17(28)24-20)13(11-5-7-12(22)8-6-11)15-18(29)25-21(26-19(15)30)32-10-4-2/h3-8,13H,1-2,9-10H2,(H2,23,24,27,28)(H2,25,26,29,30)InChIKey
MNNBSWLGYGJBNI-UHFFFAOYSA-NSynonyms
578757-05-85((4FLUOROPHENYL)(4HYDROXY6OXO2PROP2ENYLSULFANYL1HPYRIMIDIN5YL)METHYL)4HYDROXY2PROP2ENYLSULFANYL1HPYRIMIDIN6ONE
55((4fluorophenyl)methanediyl)bis(6hydroxy2(prop2en1ylsulfanyl)pyrimidin4(1H)one)
55((4fluorophenyl)methylene)bis(2(allylthio)6hydroxypyrimidin4(1H)one)
578757058
C=CCSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(N=C(NC3=O)SCC=C)O)O
C=CCSc1nc(=O)c(c((nH)1)O)C(c1c(O)(nH)c(nc1=O)SCC=C)c1ccc(cc1)F
InChI=1SC21H19FN4O4S2c13931202316(27)14(17(28)2420)13(115712(22)8611)1518(29)2521(2619(15)30)321042h3813H12910H2(H223242728)(H225262930)
MFCD04025639
ZINC000013749246
ZINC13749246
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