Vitas-M small molecule compound
1-(4-chlorobenzyl)-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804502
SMILES OCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl
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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 C18H22ClN5O3 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN5O3/c1-22-14-15(21-17(22)20-9-3-4-10-25)23(2)18(27)24(16(14)26)11-12-5-7-13(19)8-6-12/h5-8,25H,3-4,9-11H2,1-2H3,(H,20,21)InChIKey
RAXIDOOSFACAMQ-UHFFFAOYSA-NSynonyms
317841-81-91((4CHLOROPHENYL)METHYL)8(4HYDROXYBUTYLAMINO)37DIMETHYLPURINE26DIONE
1(4chlorobenzyl)8((4hydroxybutyl)amino)37dimethyl1Hpurine26(3H7H)dione
1(4chlorobenzyl)8((4hydroxybutyl)amino)37dimethyl37dihydro1Hpurine26dione
317841819
CN1C2=C(N=C1NCCCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C
InChI=1SC18H22ClN5O3c1221415(2117(22)209341025)23(2)18(27)24(16(14)26)11125713(19)8612h5825H34911H212H3(H2021)
MFCD01556288
ZINC000004730589
ZINC04730589
ZINC4730589
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