Vitas-M small molecule compound
8-(heptylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK528476
SMILES CCCCCCCSc1nc2c(n1CCCc1ccccc1)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/c1-3-4-5-6-10-16-29-22-23-19-18(20(27)24-21(28)25(19)2)26(22)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3,(H,24,27,28)InChIKey
NONMQNHUDCSIAK-UHFFFAOYSA-NSynonyms
316361270
8(heptylsulfanyl)3methyl7(3phenylpropyl)37dihydro1Hpurine26dione
8(heptylthio)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8HEPTYLSULFANYL3METHYL7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
8HEPTYLSULFANYL3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8HEPTYLTHIO3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
CCCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCCCCSc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC22H30N4O2Sc1345610162922231918(20(27)2421(28)25(19)2)26(22)15111417128791317h791213H3610111416H212H3(H242728)
MFCD01032167
ZINC000097944120
ZINC97944120
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