Vitas-M small molecule compound
4-bromo-2-[(E)-{[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Catalog ID
STK559138
SMILES COc1ccccc1[NH+]1CCN(CC1)/N=C/c1cc(Br)ccc1[O-]
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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 C18H20BrN3O2 MW 390.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN3O2/c1-24-18-5-3-2-4-16(18)21-8-10-22(11-9-21)20-13-14-12-15(19)6-7-17(14)23/h2-7,12-13,23H,8-11H2,1H3/b20-13+InChIKey
ASLYWXAFXIRVGU-DEDYPNTBSA-NSynonyms
307347-92-8307347928
4bromo2((E)((4(2methoxyphenyl)piperazin4ium1yl)imino)methyl)phenolate
4bromo2((E)(4(2methoxyphenyl)piperazin4ium1yl)iminomethyl)phenolate
COC1=CC=CC=C1(NH+)2CCN(CC2)N=CC3=C(C=CC(=C3)Br)(O)
COc1ccccc1(NH+)1CCN(CC1)N=Cc1cc(Br)ccc1(O)
InChI=1SC18H20BrN3O2c12418532416(18)2181022(11921)2013141215(19)6717(14)23h27121323H811H21H3b2013+
MFCD02677522
ZINC000000946036
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