Vitas-M small molecule compound
8-(hexylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK835001
SMILES CCCCCCSc1nc2c(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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-3-4-5-9-15-28-21-22-18-17(19(26)23-20(27)24(18)2)25(21)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3,(H,23,26,27)InChIKey
BJIHGKDABSSITJ-UHFFFAOYSA-NSynonyms
371781-47-4371781474
8(hexylsulfanyl)3methyl7(3phenylpropyl)37dihydro1Hpurine26dione
8(hexylthio)3methyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8HEXYLSULFANYL3METHYL7(3PHENYLPROPYL)37DIHYDROPURINE26DIONE
8HEXYLSULFANYL3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8HEXYLTHIO3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC21H28N4O2Sc13459152821221817(19(26)2320(27)24(18)2)25(21)14101316117681216h681112H359101315H212H3(H232627)
MFCD01032166
ZINC000004714797
ZINC04714797
ZINC4714797
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