Vitas-M small molecule compound

ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzoate

Catalog ID
STK279185
SMILES CCOC(=O)c1ccc(cc1[N+](=O)[O-])n1c(C)ccc1C

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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 C15H16N2O4 MW 288.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O4/c1-4-21-15(18)13-8-7-12(9-14(13)17(19)20)16-10(2)5-6-11(16)3/h5-9H,4H2,1-3H3
InChIKey
LLWGWURJWJWTLS-UHFFFAOYSA-N
Synonyms
701924-20-1
701924201
CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C)C)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1(N+)(=O)(O))n1c(C)ccc1C
ETHYL4(25DIMETHYL1HPYRROL1YL)2NITROBENZOATE
ETHYL4(25DIMETHYLPYRROL1YL)2NITROBENZOATE
InChI=1SC15H16N2O4c142115(18)138712(914(13)17(19)20)1610(2)5611(16)3h59H4H213H3
MFCD05989249
ZINC000000487303
ZINC00487303
ZINC487303

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Available files

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