Vitas-M small molecule compound
8-[(4-chlorobenzyl)amino]-1-(2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL296039
SMILES Clc1ccc(cc1)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F
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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 C21H19ClFN5O2 MW 427.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN5O2/c1-26-17-18(25-20(26)24-11-13-7-9-15(22)10-8-13)27(2)21(30)28(19(17)29)12-14-5-3-4-6-16(14)23/h3-10H,11-12H2,1-2H3,(H,24,25)InChIKey
OQNDAZJHALIGKX-UHFFFAOYSA-NSynonyms
368837-43-8368837438
8((4chlorobenzyl)amino)1(2fluorobenzyl)37dimethyl1Hpurine26(3H7H)dione
8((4chlorobenzyl)amino)1(2fluorobenzyl)37dimethyl37dihydro1Hpurine26dione
8((4CHLOROPHENYL)METHYLAMINO)1((2FLUOROPHENYL)METHYL)37DIMETHYLPURINE26DIONE
CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C
InChI=1SC21H19ClFN5O2c1261718(2520(26)2411137915(22)10813)27(2)21(30)28(19(17)29)1214534616(14)23h310H1112H212H3(H2425)
MFCD01554131
ZINC000008926221
ZINC08926221
ZINC8926221
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