Vitas-M small molecule compound
8-(hexylsulfanyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833626
SMILES CCCCCCSc1nc2c(n1CC(COc1ccccc1)O)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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-3-4-5-9-12-30-21-22-18-17(19(27)23-20(28)24(18)2)25(21)13-15(26)14-29-16-10-7-6-8-11-16/h6-8,10-11,15,26H,3-5,9,12-14H2,1-2H3,(H,23,27,28)InChIKey
SBLIAQCSNVNLJH-UHFFFAOYSA-NSynonyms
331675-52-6331675526
8(hexylsulfanyl)7(2hydroxy3phenoxypropyl)3methyl37dihydro1Hpurine26dione
8(HEXYLTHIO)7(2HYDROXY3PHENOXYPROPYL)3METHYL1HPURINE26(3H7H)DIONE
8HEXYLSULFANYL7(2HYDROXY3PHENOXYPROPYL)3METHYLPURINE26DIONE
8HEXYLTHIO7(2HYDROXY3PHENOXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)(nH)c(=O)n2C
InChI=1SC21H28N4O4Sc13459123021221817(19(27)2320(28)24(18)2)25(21)1315(26)142916107681116h6810111526H3591214H212H3(H232728)
MFCD00809896
ZINC000006149654
ZINC000006149656
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