Vitas-M small molecule compound

4-{(E)-[(4-benzylpiperazin-4-ium-1-yl)imino]methyl}-2-bromo-6-methoxyphenolate

Catalog ID
STL046513
SMILES COc1cc(/C=N/N2CC[NH+](CC2)Cc2ccccc2)cc(c1[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 C19H22BrN3O2 MW 404.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN3O2/c1-25-18-12-16(11-17(20)19(18)24)13-21-23-9-7-22(8-10-23)14-15-5-3-2-4-6-15/h2-6,11-13,24H,7-10,14H2,1H3/b21-13+
InChIKey
RCRKJWVWBSRZSP-FYJGNVAPSA-N
Synonyms
305336-50-9
305336509
4((E)((4benzylpiperazin4ium1yl)imino)methyl)2bromo6methoxyphenolate
4((E)(4benzylpiperazin4ium1yl)iminomethyl)2bromo6methoxyphenolate
COC1=C(C(=CC(=C1)C=NN2CC(NH+)(CC2)CC3=CC=CC=C3)Br)(O)
COc1cc(C=NN2CC(NH+)(CC2)Cc2ccccc2)cc(c1(O))Br
InChI=1SC19H22BrN3O2c125181216(1117(20)19(18)24)1321239722(81023)14155324615h26111324H71014H21H3b2113+
MFCD01912748
ZINC000019833648

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Available files

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