Vitas-M small molecule compound
8-(benzylamino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK033628
SMILES Clc1ccc(c(c1)Cl)Cn1c(NCc2ccccc2)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 C21H19Cl2N5O2 MW 444.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5O2/c1-26-18-17(19(29)27(2)21(26)30)28(12-14-8-9-15(22)10-16(14)23)20(25-18)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,24,25)InChIKey
DFHNSBSAGYKGOX-UHFFFAOYSA-NSynonyms
8(BENZYLAMINO)7((24DICHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(BENZYLAMINO)7(24DICHLOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
Clc1ccc(c(c1)Cl)Cn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC21H19Cl2N5O2c1261817(19(29)27(2)21(26)30)28(12148915(22)1016(14)23)20(2518)2411136435713h310H1112H212H3(H2425)
MFCD05819701
STK033628
ZINC000009113543
ZINC09113543
ZINC9113543
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