Vitas-M small molecule compound

dimethyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK064304
SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C17H13ClN2O7 MW 392.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O7/c1-26-16(22)10-3-5-11(17(23)27-2)13(7-10)19-15(21)9-4-6-12(18)14(8-9)20(24)25/h3-8H,1-2H3,(H,19,21)
InChIKey
NEARBDRQBFDZSR-UHFFFAOYSA-N
Synonyms
328258-36-2
14DIMETHYL2((4CHLORO3NITROBENZENE)AMIDO)BENZENE14DICARBOXYLATE
2(4CHLORO3NITROBENZOYLAMINO)TEREPHTHALICACIDDIMETHYLESTER
328258362
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O)
COC(=O)c1ccc(cc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)OC
DIMETHYL2(((4CHLORO3NITROPHENYL)CARBONYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((4CHLORO3NITROBENZOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(4CHLORO3NITROBENZAMIDO)TEREPHTHALATE
InChI=1SC17H13ClN2O7c12616(22)103511(17(23)272)13(710)1915(21)94612(18)14(89)20(24)25h38H12H3(H1921)
METHYL3((4CHLORO3NITROPHENYL)CARBONYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD01115655
STK064304
ZINC000004578606
ZINC04578606
ZINC4578606

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Available files

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