Vitas-M small molecule compound
8-[(4-chlorobenzyl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK019076
SMILES CCCCCCCn1c(SCc2ccc(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 C20H25ClN4O2S MW 420.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN4O2S/c1-3-4-5-6-7-12-25-16-17(24(2)19(27)23-18(16)26)22-20(25)28-13-14-8-10-15(21)11-9-14/h8-11H,3-7,12-13H2,1-2H3,(H,23,26,27)InChIKey
YVIQWNXJXUTOHP-UHFFFAOYSA-NSynonyms
303969-15-5303969155
8((4CHLOROBENZYL)SULFANYL)7HEPTYL3METHYL37DIHYDRO1HPURINE26DIONE
8((4chlorobenzyl)thio)7heptyl3methyl1Hpurine26(3H7H)dione
8((4CHLOROPHENYL)METHYLSULFANYL)7HEPTYL3METHYLPURINE26DIONE
8((4CHLOROPHENYL)METHYLTHIO)7HEPTYL3METHYL137TRIHYDROPURINE26DIONE
8(4CHLOROBENZYLSULFANYL)7HEPTYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC20H25ClN4O2Sc13456712251617(24(2)19(27)2318(16)26)2220(25)28131481015(21)11914h811H371213H212H3(H232627)
MFCD01185925
STK019076
ZINC000002257450
ZINC2257450
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