Vitas-M small molecule compound

8-(butylamino)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK845231
SMILES CCCn1c(NCCCC)nc2c1c(=O)n(c(=O)n2C)C

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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 C14H23N5O2 MW 293.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H23N5O2/c1-5-7-8-15-13-16-11-10(19(13)9-6-2)12(20)18(4)14(21)17(11)3/h5-9H2,1-4H3,(H,15,16)
InChIKey
LEWHZXXUFBAORR-UHFFFAOYSA-N
Synonyms
536718-45-3
536718453
8(butylamino)13dimethyl7propyl1Hpurine26(3H7H)dione
8(butylamino)13dimethyl7propyl37dihydro1Hpurine26dione
8(BUTYLAMINO)13DIMETHYL7PROPYLPURINE26DIONE
8(BUTYLAMINO)13DIMETHYL7PROPYLXANTHINE
CCCCNC1=NC2=C(N1CCC)C(=O)N(C(=O)N2C)C
InChI=1SC14H23N5O2c15781513161110(19(13)962)12(20)18(4)14(21)17(11)3h59H214H3(H1516)
MFCD03417429
ZINC000002366773
ZINC02366773
ZINC2366773

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Available files

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