2026-10-12T12:22:51Z https://www.scidb.cn/oai

10.57760/sciencedb.28774 2025-09-25T14:30:19Z

2025-09-25 a dataset of of structural information of a series of benzotriazole-3-carboxyamide as OASS inhibitors doi:10.57760/sciencedb.28774 en This dataset contains the complete analytical characterization of 33 benzotriazole derivatives synthesized and tested in biochemical and microbiological assays. For each final compound, we provide: (i) the full ¹H NMR and ¹³C NMR spectra, (ii) the high-resolution mass spectrometry (HRMS) data confirming the molecular formula.All compounds were synthesized following established amidation coupling chemistry procedures under strictly controlled laboratory conditions. Spectra were recorded on high-field NMR instruments (400 MHz for ¹H; 100 MHz for ¹³C). Sample preparation, solvent systems (typically CDCl₃ or DMSO-d₆), and acquisition parameters were identical across the dataset to ensure comparability.Each data file is provided as a TIFF (NMR spectra) grouped in compound-specific folders. A summary table in TIFF format lists all 33 derivatives, along with their corresponding file names. There is no missing data; all compounds are fully documented.The dataset includes processed spectra and can be accessed using standard free viewers. No proprietary or rare file formats are used.These data allow full structural verification, enable reproduction of synthetic and analytical workflows, and can be reused to support structure–activity relationship studies, computational modeling, or cross-referencing in chemical and biological databases. antimicrobial resistance; small-molecules; inhibitors Stefania Bova Marialaura Pavone Costanza Spadini Nicolò Mezzasalma Giacomo Quilici Jole Maria D'Angelo Francesca Malagutti Omar De Bei Chiara Spaggiari Luca Ronda Marco Pieroni Stefano Bettati Clotilde Silvia Cabassi Barbara Campanini Gabriele Costantino Marialaura Marchetti Giannamaria Annunziato PUBLIC https://creativecommons.org/licenses/by-nc/4.0/ dataset Science Data Bank