Vitas-M small molecule compound
7-benzyl-8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK207286
SMILES Clc1ccc(cc1)SCCNc1nc2c(n1Cc1ccccc1)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 C22H22ClN5O2S MW 455.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2S/c1-26-19-18(20(29)27(2)22(26)30)28(14-15-6-4-3-5-7-15)21(25-19)24-12-13-31-17-10-8-16(23)9-11-17/h3-11H,12-14H2,1-2H3,(H,24,25)InChIKey
KGMCZGIHYSTWIK-UHFFFAOYSA-NSynonyms
7benzyl8((2((4chlorophenyl)sulfanyl)ethyl)amino)13dimethyl37dihydro1Hpurine26dione
7BENZYL8(2(4CHLOROPHENYL)SULFANYLETHYLAMINO)13DIMETHYLPURINE26DIONE
7BENZYL8(2(4CHLOROPHENYLTHIO)ETHYLAMINO)13DIMETHYL1HPURINE26(3H7H)DIONE
8((2(4CHLOROPHENYLTHIO)ETHYL)AMINO)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCSC3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI=1SC22H22ClN5O2Sc1261918(20(29)27(2)22(26)30)28(14156435715)21(2519)241213311710816(23)91117h311H1214H212H3(H2425)
MFCD06240461
ZINC000003766880
ZINC03766880
ZINC3766880
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