Vitas-M small molecule compound
N-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-4-chloroaniline
Catalog ID
STL495479
SMILES COc1cc(CNc2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br
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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 C21H18BrClN2O4 MW 477.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O4/c1-28-20-11-15(12-24-17-6-4-16(23)5-7-17)10-19(22)21(20)29-13-14-2-8-18(9-3-14)25(26)27/h2-11,24H,12-13H2,1H3InChIKey
KEUMJSJQCLXLQW-UHFFFAOYSA-NSynonyms
COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)Cl)Br)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(CNc2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC21H18BrClN2O4c128201115(1224176416(23)5717)1019(22)21(20)2913142818(9314)25(26)27h21124H1213H21H3
MFCD05987243
N((3BROMO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYL)4CHLOROANILINE
N(3bromo5methoxy4((4nitrobenzyl)oxy)benzyl)4chloroaniline
ZINC000002845798
ZINC02845798
ZINC2845798
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