Vitas-M small molecule compound
8-(benzylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL324604
SMILES OC(Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl
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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 C22H21ClN4O4S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S/c1-26-19-18(20(29)25-21(26)30)27(22(24-19)32-13-14-5-3-2-4-6-14)11-16(28)12-31-17-9-7-15(23)8-10-17/h2-10,16,28H,11-13H2,1H3,(H,25,29,30)InChIKey
BEHVGLOOQSGRTE-UHFFFAOYSA-NSynonyms
331675-44-6331675446
8(benzylsulfanyl)7(3(4chlorophenoxy)2hydroxypropyl)3methyl37dihydro1Hpurine26dione
8(benzylthio)7(3(4chlorophenoxy)2hydroxypropyl)3methyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC22H21ClN4O4Sc1261918(20(29)2521(26)30)27(22(2419)3213145324614)1116(28)1231179715(23)81017h2101628H1113H21H3(H252930)
MFCD00809882
OC(Cn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000008951198
ZINC000012951029
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