Vitas-M small molecule compound

ethyl (2E)-2-[2-(2,5-dimethoxy-4-nitrophenyl)hydrazinylidene]-3-oxobutanoate

Catalog ID
STK367407
SMILES CCOC(=O)/C(=N/Nc1cc(OC)c(cc1OC)[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 C14H17N3O7 MW 339.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O7/c1-5-24-14(19)13(8(2)18)16-15-9-6-12(23-4)10(17(20)21)7-11(9)22-3/h6-7,15H,5H2,1-4H3/b16-13+
InChIKey
IWNIRHKYYCPJIX-DTQAZKPQSA-N
Synonyms

CCOC(=O)C(=NNC1=CC(=C(C=C1OC)(N+)(=O)(O))OC)C(=O)C
CCOC(=O)C(=NNc1cc(OC)c(cc1OC)(N+)(=O)(O))C(=O)C
ethyl(2E)2((25dimethoxy4nitrophenyl)hydrazinylidene)3oxobutanoate
ethyl(2E)2(2(25dimethoxy4nitrophenyl)hydrazinylidene)3oxobutanoate
ETHYL(2E)2ACETYL3((25DIMETHOXY4NITROPHENYL)AMINO)3AZAPROP2ENOATE
InChI=1SC14H17N3O7c152414(19)13(8(2)18)16159612(234)10(17(20)21)711(9)223h6715H5H214H3b1613+
MFCD00389058
ZINC000004016098
ZINC102099609

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Available files

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