Vitas-M small molecule compound

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl](4-phenylpiperazin-1-yl)methanone

Catalog ID
STK444606
SMILES O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ccccc1

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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 C28H25N3O3 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3/c32-28(31-14-12-30(13-15-31)21-6-2-1-3-7-21)23-19-25(29-24-9-5-4-8-22(23)24)20-10-11-26-27(18-20)34-17-16-33-26/h1-11,18-19H,12-17H2
InChIKey
HKQZOMIOCKQLLT-UHFFFAOYSA-N
Synonyms

(2(23dihydro14benzodioxin6yl)quinolin4yl)(4phenylpiperazin1yl)methanone
2(2H3HBENZO(34E)14DIOXAN6YL)(4QUINOLYL)4PHENYLPIPERAZINYLKETONE
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCCO6
InChI=1SC28H25N3O3c3228(31141230(131531)216213721)231925(2924954822(23)24)2010112627(1820)3417163326h1111819H1217H2
MFCD04057372
ZINC000001459799
ZINC01459799
ZINC1459799

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Available files

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