Vitas-M small molecule compound

methyl 3-[(3,4-difluorophenyl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK051549
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(c(c1)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 C15H10F2N2O5 MW 336.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10F2N2O5/c1-24-15(21)9-4-8(5-11(6-9)19(22)23)14(20)18-10-2-3-12(16)13(17)7-10/h2-7H,1H3,(H,18,20)
InChIKey
LUVUQJRBZYBKSD-UHFFFAOYSA-N
Synonyms
348604-50-2
348604502
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(c(c1)F)F
InChI=1SC15H10F2N2O5c12415(21)948(511(69)19(22)23)14(20)18102312(16)13(17)710h27H1H3(H1820)
METHYL3((34DIFLUOROPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(34DIFLUOROPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01197017
STK051549
ZINC000005023667
ZINC05023667
ZINC5023667

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Available files

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