Vitas-M small molecule compound
1-(2,4-dichlorobenzyl)-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK017857
SMILES OCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)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 C18H21Cl2N5O3 MW 426.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21Cl2N5O3/c1-23-14-15(22-17(23)21-7-3-4-8-26)24(2)18(28)25(16(14)27)10-11-5-6-12(19)9-13(11)20/h5-6,9,26H,3-4,7-8,10H2,1-2H3,(H,21,22)InChIKey
GOUFLTPKSYDKEO-UHFFFAOYSA-NSynonyms
1((24DICHLOROPHENYL)METHYL)8(4HYDROXYBUTYLAMINO)37DIMETHYLPURINE26DIONE
1(24DICHLOROBENZYL)8((4HYDROXYBUTYL)AMINO)37DIMETHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(N=C1NCCCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C
InChI=1SC18H21Cl2N5O3c1231415(2217(23)21734826)24(2)18(28)25(16(14)27)10115612(19)913(11)20h56926H347810H212H3(H2122)
MFCD02070730
OCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl
STK017857
ZINC000008985001
ZINC08985001
ZINC8985001
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