Vitas-M small molecule compound
N-{3-bromo-4-[(4-nitrobenzyl)oxy]benzyl}-3-chloro-2-methylaniline
Catalog ID
STL195619
SMILES Brc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])CNc1cccc(c1C)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 C21H18BrClN2O3 MW 461.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O3/c1-14-19(23)3-2-4-20(14)24-12-16-7-10-21(18(22)11-16)28-13-15-5-8-17(9-6-15)25(26)27/h2-11,24H,12-13H2,1H3InChIKey
BKVNKWYYRZKPBC-UHFFFAOYSA-NSynonyms
Brc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))CNc1cccc(c1C)Cl
CC1=C(C=CC=C1Cl)NCC2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))Br
InChI=1SC21H18BrClN2O3c11419(23)32420(14)24121671021(18(22)1116)2813155817(9615)25(26)27h21124H1213H21H3
MFCD22391739
N((3bromo4((4nitrophenyl)methoxy)phenyl)methyl)3chloro2methylaniline
N(3bromo4((4nitrobenzyl)oxy)benzyl)3chloro2methylaniline
ZINC000072334083
ZINC72334083
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