Vitas-M small molecule compound
8-(benzylsulfanyl)-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK542681
SMILES CCCCCCn1c(SCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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 C20H26N4O2S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S/c1-4-5-6-10-13-24-16-17(22(2)20(26)23(3)18(16)25)21-19(24)27-14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3InChIKey
UMNQIIQLDOWXAB-UHFFFAOYSA-NSynonyms
498536-09-7498536097
7HEXYL13DIMETHYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)7hexyl13dimethyl37dihydro1Hpurine26dione
8(benzylthio)7hexyl13dimethyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL7HEXYL13DIMETHYLPURINE26DIONE
CCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C
InChI=1SC20H26N4O2Sc14561013241617(22(2)20(26)23(3)18(16)25)2119(24)271415118791215h791112H46101314H213H3
MFCD03301659
ZINC000002348535
ZINC02348535
ZINC2348535
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