Vitas-M small molecule compound

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

Catalog ID
STK485290
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc2c(c1)OCCO2

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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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-24-17-4-2-3-16(14-17)21-7-9-22(10-8-21)20(23)15-5-6-18-19(13-15)26-12-11-25-18/h2-6,13-14H,7-12H2,1H3
InChIKey
WTIGAVAKSWMLFN-UHFFFAOYSA-N
Synonyms

23dihydro14benzodioxin6yl(4(3methoxyphenyl)piperazin1yl)methanone
2H3HBENZO(34E)14DIOXAN6YL4(3METHOXYPHENYL)PIPERAZINYLKETONE
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H22N2O4c1241742316(1417)217922(10821)20(23)15561819(1315)2612112518h261314H712H21H3
MFCD08725140
ZINC000005094474
ZINC05094474
ZINC5094474

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Available files

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