Vitas-M small molecule compound
1-(2-chlorobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL341809
SMILES CCCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl
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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 C20H26ClN5O2 MW 403.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN5O2/c1-4-5-6-9-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,22,23)InChIKey
HCXMKSFROMKYGG-UHFFFAOYSA-NSynonyms
585558-46-91((2CHLOROPHENYL)METHYL)8(HEXYLAMINO)37DIMETHYLPURINE26DIONE
1(2chlorobenzyl)8(hexylamino)37dimethyl1Hpurine26(3H7H)dione
1(2chlorobenzyl)8(hexylamino)37dimethyl37dihydro1Hpurine26dione
585558469
CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl
InChI=1SC20H26ClN5O2c14569122219231716(24(19)2)18(27)26(20(28)25(17)3)131410781115(14)21h781011H4691213H213H3(H2223)
MFCD04030243
ZINC000013750611
ZINC13750611
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