Vitas-M small molecule compound
8-(benzylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833915
SMILES CCCCCn1c(SCc2ccccc2)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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-3-4-8-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,20,23,24)InChIKey
JJYACPKEZDARRM-UHFFFAOYSA-NSynonyms
313364-93-1313364931
3METHYL7PENTYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)3methyl7pentyl37dihydro1Hpurine26dione
8(benzylthio)3methyl7pentyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL3METHYL7PENTYL37DIHYDROPURINE26DIONE
8BENZYLSULFANYL3METHYL7PENTYLPURINE26DIONE
CCCCCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC18H22N4O2Sc134811221415(21(2)17(24)2016(14)23)1918(22)25121396571013h57910H3481112H212H3(H202324)
MFCD00653104
ZINC000012373952
ZINC12373952
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