Vitas-M small molecule compound
1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethanone
Catalog ID
STK833204
SMILES CCCCOc1ccc(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 C18H22N2O4S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4S/c1-4-5-8-24-15-7-6-12(11(2)21)9-13(15)10-14-16(22)19-18(25-3)20-17(14)23/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,22,23)InChIKey
KQJBUAUGUPWWCZ-UHFFFAOYSA-NSynonyms
78927-71-61(4butoxy3((46dihydroxy2(methylsulfanyl)pyrimidin5yl)methyl)phenyl)ethanone
1(4butoxy3((46dihydroxy2(methylthio)pyrimidin5yl)methyl)phenyl)ethanone
1ACETYL3((46DIHYDROXY2METHYLTHIOPYRIMIDIN5YL)METHYL)4BUTOXYBENZENE
5((5ACETYL2BUTOXYPHENYL)METHYL)4HYDROXY2METHYLSULFANYL1HPYRIMIDIN6ONE
5(5ACETYL2BUTOXYBENZYL)6HYDROXY2(METHYLSULFANYL)PYRIMIDIN4(3H)ONE
78927716
CCCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SC)O
InChI=1SC18H22N2O4Sc145824157612(11(2)21)913(15)101416(22)1918(253)2017(14)23h679H45810H213H3(H219202223)
MFCD01416505
ZINC000009059320
ZINC9059320
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