Vitas-M small molecule compound

dimethyl 2-[(5-bromo-2-hydroxybenzyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK900575
SMILES COC(=O)c1ccc(cc1NCc1cc(Br)ccc1O)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 C17H16BrNO5 MW 394.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO5/c1-23-16(21)10-3-5-13(17(22)24-2)14(8-10)19-9-11-7-12(18)4-6-15(11)20/h3-8,19-20H,9H2,1-2H3
InChIKey
MPZGWQUZTDEWRO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NCC2=C(C=CC(=C2)Br)O
dimethyl2((5bromo2hydroxybenzyl)amino)benzene14dicarboxylate
DIMETHYL2((5BROMO2HYDROXYBENZYL)AMINO)TEREPHTHALATE
dimethyl2((5bromo2hydroxyphenyl)methylamino)benzene14dicarboxylate
InChI=1SC17H16BrNO5c12316(21)103513(17(22)242)14(810)19911712(18)4615(11)20h381920H9H212H3
MFCD18173518
ZINC000044836180
ZINC44836180

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Available files

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