Vitas-M small molecule compound
8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK207287
SMILES Fc1ccc(cc1)Cn1c(NCCSc2ccc(cc2)Cl)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 C22H21ClFN5O2S MW 473.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN5O2S/c1-27-19-18(20(30)28(2)22(27)31)29(13-14-3-7-16(24)8-4-14)21(26-19)25-11-12-32-17-9-5-15(23)6-10-17/h3-10H,11-13H2,1-2H3,(H,25,26)InChIKey
WYEUPTAYACBOMR-UHFFFAOYSA-NSynonyms
8((2((4chlorophenyl)sulfanyl)ethyl)amino)7(4fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((2(4CHLOROPHENYLTHIO)ETHYL)AMINO)7((4FLUOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8(2(4CHLOROPHENYL)SULFANYLETHYLAMINO)7((4FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(2(4CHLOROPHENYLTHIO)ETHYLAMINO)7(4FLUOROBENZYL)13DIMETHYL1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCSC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F
InChI=1SC22H21ClFN5O2Sc1271918(20(30)28(2)22(27)31)29(13143716(24)8414)21(2619)25111232179515(23)61017h310H1113H212H3(H2526)
MFCD06240462
ZINC000003766881
ZINC03766881
ZINC3766881
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