Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetamide

Catalog ID
STL122520
SMILES O=C(Nc1ccc2c(c1)OCCO2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

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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 C21H22F3N3O3 MW 421.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O3/c22-21(23,24)15-2-1-3-17(12-15)27-8-6-26(7-9-27)14-20(28)25-16-4-5-18-19(13-16)30-11-10-29-18/h1-5,12-13H,6-11,14H2,(H,25,28)
InChIKey
UTUNMYKNJIIQHY-UHFFFAOYSA-N
Synonyms
930567-67-2
930567672
C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H22F3N3O3c2221(2324)1521317(1215)278626(7927)1420(28)2516451819(1316)3011102918h151213H61114H2(H2528)
MFCD04874543
N(23dihydro14benzodioxin6yl)2(4(3(trifluoromethyl)phenyl)piperazin1yl)acetamide
ZINC000057291849
ZINC57291849

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Available files

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