Vitas-M small molecule compound
8-(ethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833784
SMILES CCSc1nc2c(n1CC(COc1ccccc1C)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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-4-27-18-19-15-14(16(24)20-17(25)21(15)3)22(18)9-12(23)10-26-13-8-6-5-7-11(13)2/h5-8,12,23H,4,9-10H2,1-3H3,(H,20,24,25)InChIKey
BCOKENSPGQCKLE-UHFFFAOYSA-NSynonyms
332103-50-1332103501
8(ethylsulfanyl)7(2hydroxy3(2methylphenoxy)propyl)3methyl37dihydro1Hpurine26dione
8(ETHYLTHIO)7(2HYDROXY3(OTOLYLOXY)PROPYL)3METHYL1HPURINE26(3H7H)DIONE
8ETHYLSULFANYL7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYLPURINE26DIONE
8ETHYLSULFANYL7(2HYDROXY3OTOLYLOXYPROPYL)3METHYL37DIHYDROPURINE26DIONE
8ETHYLTHIO7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL137TRIHYDROPURINE26DIONE
CCSC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C
CCSc1nc2c(n1CC(COc1ccccc1C)O)c(=O)(nH)c(=O)n2C
InChI=1SC18H22N4O4Sc142718191514(16(24)2017(25)21(15)3)22(18)912(23)102613865711(13)2h581223H4910H213H3(H202425)
MFCD01879714
ZINC000000633233
ZINC000000850893
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