Vitas-M small molecule compound
7-butyl-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK030487
SMILES CCCCn1c(SCC(=O)c2ccc(cc2)Cl)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 C18H19ClN4O3S MW 406.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O3S/c1-3-4-9-23-14-15(22(2)17(26)21-16(14)25)20-18(23)27-10-13(24)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,21,25,26)InChIKey
JUBRLMRAGKIJQI-UHFFFAOYSA-NSynonyms
303968-99-2303968992
7BUTYL8((2(4CHLOROPHENYL)2OXOETHYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7BUTYL8((2(4CHLOROPHENYL)2OXOETHYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
7BUTYL8(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3METHYLPURINE26DIONE
7BUTYL8(2(4CHLOROPHENYL)2OXOETHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
CCCCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC18H19ClN4O3Sc1349231415(22(2)17(26)2116(14)25)2018(23)271013(24)115712(19)8611h58H34910H212H3(H212526)
MFCD01554571
STK030487
ZINC000013512753
ZINC13512753
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