Vitas-M small molecule compound

8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK868409
SMILES OCCN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)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 C13H20N6O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N6O3/c1-16-10-9(11(21)17(2)13(16)22)14-12(15-10)19-5-3-18(4-6-19)7-8-20/h20H,3-8H2,1-2H3,(H,14,15)
InChIKey
MFMUXBMPMXPWAT-UHFFFAOYSA-N
Synonyms
40171-75-3
1HPURINE26DIONE37DIHYDRO8(4(2HYDROXYETHYL)1PIPERAZINYL)13DIMETHYL
40171753
8(4(2hydroxyethyl)piperazin1yl)13dimethyl1Hpurine26(3H7H)dione
8(4(2hydroxyethyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYL7HPURINE26DIONE
8(4(2HYDROXYETHYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCO
InChI=1SC13H20N6O3c116109(11(21)17(2)13(16)22)1412(1510)195318(4619)7820h20H38H212H3(H1415)
MFCD00126649
N(SUP1)(8TEOFILLINA)N(SUP4)BETAIDROSSIETILPIPERAZINA
N(SUP1)(THEOPHYLLINYL8)N(SUP4)BETAHYDROXYETHYLPIPERAZINE
N(SUP1)(THEOPHYLLINYL8)N(SUP4)SSHYDROXYETHYLPIPERAZINE
OCCN1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
ZINC000019973825
ZINC19973825

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Available files

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