Vitas-M small molecule compound

methyl (2E)-2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate

Catalog ID
STK809341
SMILES COC(=O)/C(=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])/C(=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 C16H13NO6 MW 315.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO6/c1-10(18)13(16(19)22-2)9-11-7-8-15(23-11)12-5-3-4-6-14(12)17(20)21/h3-9H,1-2H3/b13-9+
InChIKey
GIXABAZZZKEPKT-UKTHLTGXSA-N
Synonyms

CC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC
COC(=O)C(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))C(=O)C
InChI=1SC16H13NO6c110(18)13(16(19)222)9117815(2311)12534614(12)17(20)21h39H12H3b139+
methyl(2E)2((5(2nitrophenyl)furan2yl)methylidene)3oxobutanoate
MFCD03462860
ZINC000026964757
ZINC26964757

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Available files

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