Vitas-M small molecule compound

7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK052560
SMILES O=C(N1CCN(CC1)c1ccccc1F)Cn1cnc2c1c(=O)n(C)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 C19H21FN6O3 MW 400.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21FN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-9-7-24(8-10-25)14-6-4-3-5-13(14)20/h3-6,12H,7-11H2,1-2H3
InChIKey
CVSGHRQELTUIIA-UHFFFAOYSA-N
Synonyms
432539-89-4
432539894
7(2(4(2FLUOROPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
7(2(4(2fluorophenyl)piperazin1yl)2oxoethyl)13dimethylpurine26dione
7(2(4(2FLUOROPHENYL)PIPERAZINYL)2OXOETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F
InChI=1SC19H21FN6O3c1221716(18(28)23(2)19(22)29)26(122117)1115(27)259724(81025)14643513(14)20h3612H711H212H3
MFCD03043016
O=C(N1CCN(CC1)c1ccccc1F)Cn1cnc2c1c(=O)n(C)c(=O)n2C
STK052560
ZINC000000917439
ZINC00917439
ZINC917439

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Available files

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