Vitas-M small molecule compound
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833702
SMILES CCSc1nc2c(n1CC(COc1ccc(cc1)Cl)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 C17H19ClN4O4S MW 410.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4O4S/c1-3-27-17-19-14-13(15(24)20-16(25)21(14)2)22(17)8-11(23)9-26-12-6-4-10(18)5-7-12/h4-7,11,23H,3,8-9H2,1-2H3,(H,20,24,25)InChIKey
RIJMOAJYWSURSK-UHFFFAOYSA-NSynonyms
331675-33-3331675333
7(3(4chlorophenoxy)2hydroxypropyl)8(ethylsulfanyl)3methyl37dihydro1Hpurine26dione
7(3(4chlorophenoxy)2hydroxypropyl)8(ethylthio)3methyl1Hpurine26(3H7H)dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8ETHYLSULFANYL3METHYLPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8ETHYLTHIO3METHYL137TRIHYDROPURINE26DIONE
CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
CCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)(nH)c(=O)n2C
InChI=1SC17H19ClN4O4Sc132717191413(15(24)2016(25)21(14)2)22(17)811(23)926126410(18)5712h471123H389H212H3(H202425)
MFCD00809870
ZINC000000625882
ZINC000000828780
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