Vitas-M small molecule compound

dimethyl 5-{[(2-nitrophenyl)sulfonyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK080630
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

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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 C16H14N2O8S MW 394.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O8S/c1-25-15(19)10-7-11(16(20)26-2)9-12(8-10)17-27(23,24)14-6-4-3-5-13(14)18(21)22/h3-9,17H,1-2H3
InChIKey
QFKKGEUZMVZHFB-UHFFFAOYSA-N
Synonyms
16362-48-4
16362484
5(2NITROBENZENESULFONYLAMINO)ISOPHTHALICACIDDIMETHYLESTER
COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)C(=O)OC)NS(=O)(=O)c1ccccc1(N+)(=O)(O)
DIMETHYL5(((2NITROPHENYL)SULFONYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(((2NITROPHENYL)SULFONYL)AMINO)ISOPHTHALATE
DIMETHYL5((2NITROPHENYL)SULFONYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC16H14N2O8Sc12515(19)10711(16(20)262)912(810)1727(2324)14643513(14)18(21)22h3917H12H3
METHYL3(METHOXYCARBONYL)5(((2NITROPHENYL)SULFONYL)AMINO)BENZOATE
MFCD01115689
STK080630
ZINC000002058213
ZINC02058213
ZINC2058213

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Available files

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