Vitas-M small molecule compound

methyl 4-methyl-3-{[(4-nitrophenyl)carbonyl]amino}benzoate

Catalog ID
STL121029
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C

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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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-10-3-4-12(16(20)23-2)9-14(10)17-15(19)11-5-7-13(8-6-11)18(21)22/h3-9H,1-2H3,(H,17,19)
InChIKey
CZYXTIOQQHAKPF-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC16H14N2O5c1103412(16(20)232)914(10)1715(19)115713(8611)18(21)22h39H12H3(H1719)
methyl4methyl3(((4nitrophenyl)carbonyl)amino)benzoate
METHYL4METHYL3((4NITROBENZOYL)AMINO)BENZOATE
MFCD03141458
ZINC000000317120
ZINC00317120
ZINC317120

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Available files

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