Vitas-M small molecule compound
7-(3,4-dichlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK720213
SMILES Fc1ccc(cc1)CSc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=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 C21H17Cl2FN4O2S MW 479.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-13-5-8-15(22)16(23)9-13)20(25-18)31-11-12-3-6-14(24)7-4-12/h3-9H,10-11H2,1-2H3InChIKey
IXMDXVGBVGDRSV-UHFFFAOYSA-NSynonyms
7((34DICHLOROPHENYL)METHYL)8((4FLUOROPHENYL)METHYLSULFANYL)13DIMETHYLPURINE26DIONE
7(34dichlorobenzyl)8((4fluorobenzyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H17Cl2FN4O2Sc1261817(19(29)27(2)21(26)30)28(10135815(22)16(23)913)20(2518)3111123614(24)7412h39H1011H212H3
MFCD02182353
ZINC000000677688
ZINC00677688
ZINC677688
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