Vitas-M small molecule compound

(8E)-8-{[4-(butoxycarbonyl)phenyl]imino}-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)-5,8-dihydronaphthalen-1-olate

Catalog ID
STK565311
SMILES CCCCOC(=O)c1ccc(cc1)/N=C/1\C=C(N2CC[NH+](CC2)c2ccccc2)C(=O)c2c1c([O-])ccc2

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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 C31H31N3O4 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4/c1-2-3-20-38-31(37)22-12-14-23(15-13-22)32-26-21-27(30(36)25-10-7-11-28(35)29(25)26)34-18-16-33(17-19-34)24-8-5-4-6-9-24/h4-15,21,35H,2-3,16-20H2,1H3/b32-26+
InChIKey
FTHRTMGFCQRBAG-HMZBKAONSA-N
Synonyms
578747-68-9
(8E)8((4(butoxycarbonyl)phenyl)imino)5oxo6(4phenylpiperazin4ium1yl)58dihydronaphthalen1olate
578747689
CCCCOC(=O)c1ccc(cc1)N=C1C=C(N2CC(NH+)(CC2)c2ccccc2)C(=O)c2c1c((O))ccc2
MFCD04024206
ZINC000001842841

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Available files

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