Vitas-M small molecule compound

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

Catalog ID
STK629202
SMILES CCCCCCNc1nc2c(n1CC(=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 C16H25N5O2 MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N5O2/c1-5-6-7-8-9-17-15-18-13-12(21(15)10-11(2)3)14(22)19-16(23)20(13)4/h2,5-10H2,1,3-4H3,(H,17,18)(H,19,22,23)
InChIKey
FMLNEEZVEYTWQT-UHFFFAOYSA-N
Synonyms
376380-05-1
376380051
8(hexylamino)3methyl7(2methylallyl)1Hpurine26(3H7H)dione
8(hexylamino)3methyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
8(HEXYLAMINO)3METHYL7(2METHYLPROP2ENYL)137TRIHYDROPURINE26DIONE
8(HEXYLAMINO)3METHYL7(2METHYLPROP2ENYL)PURINE26DIONE
8HEXYLAMINO3METHYL7(2METHYLALLYL)37DIHYDROPURINE26DIONE
CCCCCCNC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C
CCCCCCNc1nc2c(n1CC(=C)C)c(=O)(nH)c(=O)n2C
InChI=1SC16H25N5O2c1567891715181312(21(15)1011(2)3)14(22)1916(23)20(13)4h2510H2134H3(H1718)(H192223)
MFCD02925498
ZINC000012419735
ZINC12419735

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Available files

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