Vitas-M small molecule compound
3-methyl-7-(3-methylbenzyl)-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700842
SMILES CCCCCCCCSc1nc2c(n1Cc1cccc(c1)C)c(=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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-4-5-6-7-8-9-13-29-22-23-19-18(20(27)24-21(28)25(19)3)26(22)15-17-12-10-11-16(2)14-17/h10-12,14H,4-9,13,15H2,1-3H3,(H,24,27,28)InChIKey
KHKNQYWSNVQCHN-UHFFFAOYSA-NSynonyms
303973-36-6303973366
3METHYL7((3METHYLPHENYL)METHYL)8OCTYLSULFANYLPURINE26DIONE
3METHYL7((3METHYLPHENYL)METHYL)8OCTYLTHIO137TRIHYDROPURINE26DIONE
3methyl7(3methylbenzyl)8(octylsulfanyl)37dihydro1Hpurine26dione
3methyl7(3methylbenzyl)8(octylthio)1Hpurine26(3H7H)dione
CCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C
InChI=1SC22H30N4O2Sc1456789132922231918(20(27)2421(28)25(19)3)26(22)151712101116(2)1417h101214H491315H213H3(H242728)
MFCD01186386
ZINC000097949474
ZINC97949474
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