Vitas-M small molecule compound

dimethyl 2-{[(2-nitrophenyl)carbonyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK083790
SMILES COC(=O)c1ccc(cc1NC(=O)c1ccccc1[N+](=O)[O-])C(=O)OC

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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 C17H14N2O7 MW 358.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O7/c1-25-16(21)10-7-8-11(17(22)26-2)13(9-10)18-15(20)12-5-3-4-6-14(12)19(23)24/h3-9H,1-2H3,(H,18,20)
InChIKey
PYJJWZVDYMGMCT-UHFFFAOYSA-N
Synonyms
314284-48-5
14DIMETHYL2((2NITROBENZENE)AMIDO)BENZENE14DICARBOXYLATE
2(2NITROBENZOYLAMINO)TEREPHTHALICACIDDIMETHYLESTER
314284485
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
COC(=O)c1ccc(cc1NC(=O)c1ccccc1(N+)(=O)(O))C(=O)OC
DIMETHYL2(((2NITROPHENYL)CARBONYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((2NITROBENZOYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC17H14N2O7c12516(21)107811(17(22)262)13(910)1815(20)12534614(12)19(23)24h39H12H3(H1820)
METHYL4(METHOXYCARBONYL)3((2NITROPHENYL)CARBONYLAMINO)BENZOATE
MFCD01115636
STK083790
ZINC000000805348
ZINC00805348
ZINC805348

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Available files

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