Vitas-M small molecule compound

furan-2-yl(5-hydroxy-4-{[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl}-1-benzofuran-3-yl)methanone

Catalog ID
STL422010
SMILES Oc1ccc2c(c1CN1CCN(CC1)CC(F)(F)F)c(co2)C(=O)c1ccco1

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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 C20H19F3N2O4 MW 408.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N2O4/c21-20(22,23)12-25-7-5-24(6-8-25)10-13-15(26)3-4-16-18(13)14(11-29-16)19(27)17-2-1-9-28-17/h1-4,9,11,26H,5-8,10,12H2
InChIKey
QCVQAPLOQHDKLS-UHFFFAOYSA-N
Synonyms

C1CN(CCN1CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CO4)O)CC(F)(F)F
furan2yl(5hydroxy4((4(222trifluoroethyl)piperazin1yl)methyl)1benzofuran3yl)methanone
furan2yl(5hydroxy4((4(222trifluoroethyl)piperazin1yl)methyl)benzofuran3yl)methanone
InChI=1SC20H19F3N2O4c2120(2223)12257524(6825)101315(26)341618(13)14(112916)19(27)172192817h1491126H581012H2
MFCD29057216
ZINC000252497278

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Available files

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