Vitas-M small molecule compound

2-[(E)-{[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]imino}methyl]-5-hydroxyphenolate

Catalog ID
STK564895
SMILES Clc1ccc(cc1)C[NH+]1CCN(CC1)/N=C/c1ccc(cc1[O-])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 C18H20ClN3O2 MW 345.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O2/c19-16-4-1-14(2-5-16)13-21-7-9-22(10-8-21)20-12-15-3-6-17(23)11-18(15)24/h1-6,11-12,23-24H,7-10,13H2/b20-12+
InChIKey
XYFRFWBQKVHOQU-UDWIEESQSA-N
Synonyms
306989-63-9
2((E)((4(4chlorobenzyl)piperazin4ium1yl)imino)methyl)5hydroxyphenolate
306989639
Clc1ccc(cc1)C(NH+)1CCN(CC1)N=Cc1ccc(cc1(O))O
MFCD01914454
ZINC000019773090

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.