Vitas-M small molecule compound
1-{3-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)methyl]-4-methoxyphenyl}ethanone
Catalog ID
STK834075
SMILES COc1ccc(cc1Cc1c(O)nc(nc1O)S)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 C14H14N2O4S MW 306.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O4S/c1-7(17)8-3-4-11(20-2)9(5-8)6-10-12(18)15-14(21)16-13(10)19/h3-5H,6H2,1-2H3,(H3,15,16,18,19,21)InChIKey
QOLWAAREQGKDIW-UHFFFAOYSA-NSynonyms
78927-61-41(3((46dihydroxy2mercaptopyrimidin5yl)methyl)4methoxyphenyl)ethanone
1(3((46dihydroxy2sulfanylpyrimidin5yl)methyl)4methoxyphenyl)ethanone
1(3(46DIHYDROXY2MERCAPTOPYRIMIDIN5YLMETHYL)4METHOXYPHENYL)ETHANONE
1ACETYL3((46DIHYDROXY2SULFANYLPYRIMIDIN5YL)METHYL)4METHOXYBENZENE
5((5ACETYL2METHOXYPHENYL)METHYL)6HYDROXY2SULFANYLIDENE1HPYRIMIDIN4ONE
78927614
CC(=O)C1=CC(=C(C=C1)OC)CC2=C(NC(=S)NC2=O)O
InChI=1SC14H14N2O4Sc17(17)83411(202)9(58)61012(18)1514(21)1613(10)19h35H6H212H3(H31516181921)
MFCD01211396
ZINC000006493015
ZINC6493015
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