Vitas-M small molecule compound

2,3-dihydro-1,4-benzodioxin-6-yl[4-(pyrimidin-2-yl)piperazin-1-yl]methanone

Catalog ID
STK467700
SMILES O=C(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ncccn1

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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 C17H18N4O3 MW 326.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3/c22-16(13-2-3-14-15(12-13)24-11-10-23-14)20-6-8-21(9-7-20)17-18-4-1-5-19-17/h1-5,12H,6-11H2
InChIKey
LHCHIPBXALOQEP-UHFFFAOYSA-N
Synonyms

23dihydro14benzodioxin6yl(4(pyrimidin2yl)piperazin1yl)methanone
23DIHYDRO14BENZODIOXIN6YL(4PYRIMIDIN2YLPIPERAZIN1YL)METHANONE
2H3HBENZO(34E)14DIOXAN6YL4PYRIMIDIN2YLPIPERAZINYLKETONE
C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC17H18N4O3c2216(13231415(1213)2411102314)206821(9720)17184151917h1512H611H2
MFCD07182261
ZINC000004804801
ZINC04804801
ZINC4804801

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Available files

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