Vitas-M small molecule compound

1-[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]propan-1-one

Catalog ID
STK227951
SMILES CCC(=O)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)Cl

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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 C13H13ClF4N2O MW 324.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClF4N2O/c1-2-7(21)19-3-5-20(6-4-19)13-11(17)9(15)8(14)10(16)12(13)18/h2-6H2,1H3
InChIKey
QODSMOLKRXXSPY-UHFFFAOYSA-N
Synonyms

1(4(4chloro2356tetrafluorophenyl)piperazin1yl)propan1one
CCC(=O)N1CCN(CC1)C2=C(C(=C(C(=C2F)F)Cl)F)F
InChI=1SC13H13ClF4N2Oc127(21)193520(6419)1311(17)9(15)8(14)10(16)12(13)18h26H21H3
MFCD07176809
ZINC000004733295
ZINC04733295
ZINC4733295

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Available files

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