Vitas-M small molecule compound
1-(3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}-4-methoxyphenyl)ethanone
Catalog ID
STK835155
SMILES COc1ccc(cc1Cc1c(O)nc(nc1O)SC)C(=O)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 C15H16N2O4S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O4S/c1-8(18)9-4-5-12(21-2)10(6-9)7-11-13(19)16-15(22-3)17-14(11)20/h4-6H,7H2,1-3H3,(H2,16,17,19,20)InChIKey
MURSNWJIUJRIQN-UHFFFAOYSA-NSynonyms
78927-67-01(3((46dihydroxy2(methylsulfanyl)pyrimidin5yl)methyl)4methoxyphenyl)ethanone
1(3((46dihydroxy2(methylthio)pyrimidin5yl)methyl)4methoxyphenyl)ethanone
5((5ACETYL2METHOXYPHENYL)METHYL)4HYDROXY2METHYLSULFANYL1HPYRIMIDIN6ONE
78927670
CC(=O)C1=CC(=C(C=C1)OC)CC2=C(N=C(NC2=O)SC)O
InChI=1SC15H16N2O4Sc18(18)94512(212)10(69)71113(19)1615(223)1714(11)20h46H7H213H3(H216171920)
MFCD01211397
ZINC000012651077
ZINC12651077
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