Vitas-M small molecule compound
7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK064986
SMILES CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
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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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-3-4-10-22-14-15(21(2)17(25)20-16(14)24)19-18(22)26-11-13(23)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,20,24,25)InChIKey
SHVPLRHXGBSPNO-UHFFFAOYSA-NSynonyms
303968-78-7303968787
7BUTYL3METHYL8((2OXO2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7butyl3methyl8((2oxo2phenylethyl)thio)1Hpurine26(3H7H)dione
7BUTYL3METHYL8(2OXO2PHENYLETHYLSULFANYL)37DIHYDROPURINE26DIONE
7BUTYL3METHYL8(PHENACYLTHIO)PURINE26DIONE
7BUTYL3METHYL8(PHENACYLTHIO)XANTHINE
7BUTYL3METHYL8PHENACYLSULFANYLPURINE26DIONE
CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC18H20N4O3Sc13410221415(21(2)17(25)2016(14)24)1918(22)261113(23)128657912h59H341011H212H3(H202425)
MFCD01555205
STK064986
ZINC000012467336
ZINC12467336
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