Vitas-M small molecule compound

9-butyl-8-(4-methoxyphenyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione

Catalog ID
STK169385
SMILES CCCCn1c(nc2c1[nH]c(=O)n(c2=O)C)c1ccc(cc1)OC

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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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-4-5-10-21-14(11-6-8-12(24-3)9-7-11)18-13-15(21)19-17(23)20(2)16(13)22/h6-9H,4-5,10H2,1-3H3,(H,19,23)
InChIKey
LJUAQILBBMOVIR-UHFFFAOYSA-N
Synonyms
61080-43-1
1HPURINE26DIONE9BUTYL39DIHYDRO8(4METHOXYPHENYL)1METHYL
61080431
9BUTYL8(4METHOXYPHENYL)1METHYL13DIHYDROPURINE26DIONE
9butyl8(4methoxyphenyl)1methyl1Hpurine26(3H9H)dione
9BUTYL8(4METHOXYPHENYL)1METHYL39DIHYDRO1HPURINE26DIONE
9BUTYL8(4METHOXYPHENYL)1METHYL39DIHYDROPURINE26DIONE
9BUTYL8(4METHOXYPHENYL)1METHYL3HPURINE26DIONE
CCCCn1c(nc2c1(nH)c(=O)n(c2=O)C)c1ccc(cc1)OC
CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC
InChI=1SC17H20N4O3c145102114(116812(243)9711)181315(21)1917(23)20(2)16(13)22h69H4510H213H3(H1923)
MFCD00386484
ZINC000018270685
ZINC18270685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.