Vitas-M small molecule compound
8-[(2-chlorobenzyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700124
SMILES CCCCCCCCCCCCn1c(SCc2ccccc2Cl)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 C25H35ClN4O2S MW 491.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35ClN4O2S/c1-3-4-5-6-7-8-9-10-11-14-17-30-21-22(29(2)24(32)28-23(21)31)27-25(30)33-18-19-15-12-13-16-20(19)26/h12-13,15-16H,3-11,14,17-18H2,1-2H3,(H,28,31,32)InChIKey
HJLCDBYMERDSFZ-UHFFFAOYSA-NSynonyms
329705-55-7329705557
8((2chlorobenzyl)sulfanyl)7dodecyl3methyl37dihydro1Hpurine26dione
8((2chlorobenzyl)thio)7dodecyl3methyl1Hpurine26(3H7H)dione
8((2CHLOROPHENYL)METHYLSULFANYL)7DODECYL3METHYLPURINE26DIONE
8((2CHLOROPHENYL)METHYLTHIO)7DODECYL3METHYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C
InChI=1SC25H35ClN4O2Sc1345678910111417302122(29(2)24(32)2823(21)31)2725(30)3318191512131620(19)26h12131516H311141718H212H3(H283132)
MFCD01143529
ZINC000097949563
ZINC97949563
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