Vitas-M small molecule compound
5-{[4,6-dihydroxy-2-(prop-2-en-1-ylsulfanyl)pyrimidin-5-yl](4-methylphenyl)methyl}-6-hydroxy-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4(1H)-one
Catalog ID
STL046099
SMILES C=CCSc1nc(O)c(c(n1)O)C(c1c(O)[nH]c(nc1=O)SCC=C)c1ccc(cc1)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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-4-10-31-21-23-17(27)15(18(28)24-21)14(13-8-6-12(3)7-9-13)16-19(29)25-22(26-20(16)30)32-11-5-2/h4-9,14H,1-2,10-11H2,3H3,(H2,23,24,27,28)(H2,25,26,29,30)InChIKey
GZQJBAHBPCIIKI-UHFFFAOYSA-NSynonyms
577997-70-74HYDROXY5((4HYDROXY6OXO2PROP2ENYLSULFANYL1HPYRIMIDIN5YL)(4METHYLPHENYL)METHYL)2PROP2ENYLSULFANYL1HPYRIMIDIN6ONE
5((46dihydroxy2(prop2en1ylsulfanyl)pyrimidin5yl)(4methylphenyl)methyl)6hydroxy2(prop2en1ylsulfanyl)pyrimidin4(1H)one
577997707
C=CCSc1nc(O)c(c(n1)O)C(c1c(O)(nH)c(nc1=O)SCC=C)c1ccc(cc1)C
CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC=C)O)C3=C(N=C(NC3=O)SCC=C)O
InChI=1SC22H22N4O4S2c141031212317(27)15(18(28)2421)14(138612(3)7913)1619(29)2522(2620(16)30)321152h4914H121011H23H3(H223242728)(H225262930)
MFCD04082276
ZINC000016225448
ZINC16225448
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