Vitas-M small molecule compound
1-(4-fluorobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL341816
SMILES CCCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)F
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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 C20H26FN5O2 MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26FN5O2/c1-4-5-6-7-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-8-10-15(21)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,22,23)InChIKey
XEPALENYHWGZEL-UHFFFAOYSA-NSynonyms
585559-36-01((4FLUOROPHENYL)METHYL)8(HEXYLAMINO)37DIMETHYLPURINE26DIONE
1(4fluorobenzyl)8(hexylamino)37dimethyl1Hpurine26(3H7H)dione
1(4fluorobenzyl)8(hexylamino)37dimethyl37dihydro1Hpurine26dione
585559360
CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)F
InChI=1SC20H26FN5O2c14567122219231716(24(19)2)18(27)26(20(28)25(17)3)131481015(21)11914h811H471213H213H3(H2223)
MFCD04030275
ZINC000013750645
ZINC13750645
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