Vitas-M small molecule compound
N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]-4-nitrobenzamide
Catalog ID
STK258221
SMILES O=C(C(C)(C)C)COc1cccc(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C19H20N2O5 MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5/c1-19(2,3)17(22)12-26-16-6-4-5-14(11-16)20-18(23)13-7-9-15(10-8-13)21(24)25/h4-11H,12H2,1-3H3,(H,20,23)InChIKey
GKEAMHWTZYFQHE-UHFFFAOYSA-NSynonyms
CC(C)(C)C(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC19H20N2O5c119(23)17(22)12261664514(1116)2018(23)137915(10813)21(24)25h411H12H213H3(H2023)
MFCD03902493
N(3(33dimethyl2oxobutoxy)phenyl)4nitrobenzamide
O=C(C(C)(C)C)COc1cccc(c1)NC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001110439
ZINC01110439
ZINC1110439
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