Vitas-M small molecule compound
3-({3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}amino)benzoic acid
Catalog ID
STK249994
SMILES COc1cc(CNc2cccc(c2)C(=O)O)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C22H19ClN2O6 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O6/c1-30-20-10-15(12-24-17-4-2-3-16(11-17)22(26)27)9-19(23)21(20)31-13-14-5-7-18(8-6-14)25(28)29/h2-11,24H,12-13H2,1H3,(H,26,27)InChIKey
CQUNRGAKPFXWBO-UHFFFAOYSA-NSynonyms
3((3chloro5methoxy4((4nitrobenzyl)oxy)benzyl)amino)benzoicacid
3((3chloro5methoxy4((4nitrophenyl)methoxy)phenyl)methylamino)benzoicacid
COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(CNc2cccc(c2)C(=O)O)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC22H19ClN2O6c130201015(12241742316(1117)22(26)27)919(23)21(20)3113145718(8614)25(28)29h21124H1213H21H3(H2627)
MFCD08677239
ZINC000009668673
ZINC9668673
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