Vitas-M small molecule compound

8-({[3-(aminomethyl)cyclohexyl]methyl}amino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL313285
SMILES NCC1CCCC(C1)CNc1nc2c(n1Cc1ccc(cc1Cl)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 C22H28Cl2N6O2 MW 479.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28Cl2N6O2/c1-28-19-18(20(31)29(2)22(28)32)30(12-15-6-7-16(23)9-17(15)24)21(27-19)26-11-14-5-3-4-13(8-14)10-25/h6-7,9,13-14H,3-5,8,10-12,25H2,1-2H3,(H,26,27)
InChIKey
XPTRYQLYDHVHAQ-UHFFFAOYSA-N
Synonyms
587002-32-2
587002322
8(((3(aminomethyl)cyclohexyl)methyl)amino)7(24dichlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8(((3(aminomethyl)cyclohexyl)methyl)amino)7(24dichlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((3(AMINOMETHYL)CYCLOHEXYL)METHYLAMINO)7((24DICHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCC(C3)CN)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC22H28Cl2N6O2c1281918(20(31)29(2)22(28)32)30(12156716(23)917(15)24)21(2719)26111453413(814)1025h6791314H358101225H212H3(H2627)
MFCD04033610
ZINC000009191446
ZINC000009192722

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.