Vitas-M small molecule compound

8-(hexylamino)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840780
SMILES CCCCCCNc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

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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 C17H29N5O2 MW 335.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H29N5O2/c1-5-6-7-8-10-18-16-19-14-13(22(16)11-9-12(2)3)15(23)20-17(24)21(14)4/h12H,5-11H2,1-4H3,(H,18,19)(H,20,23,24)
InChIKey
CNVVJVFOLCYRGW-UHFFFAOYSA-N
Synonyms
377061-49-9
377061499
8(hexylamino)3methyl7(3methylbutyl)37dihydro1Hpurine26dione
8(HEXYLAMINO)3METHYL7(3METHYLBUTYL)PURINE26DIONE
8(HEXYLAMINO)7ISOPENTYL3METHYL1HPURINE26(3H7H)DIONE
CCCCCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C
CCCCCCNc1nc2c(n1CCC(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H29N5O2c15678101816191413(22(16)11912(2)3)15(23)2017(24)21(14)4h12H511H214H3(H1819)(H202324)
MFCD02983739
ZINC000013785076
ZINC13785076

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Available files

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