Vitas-M small molecule compound
(8E)-8-{[4-(methoxycarbonyl)phenyl]imino}-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)-5,8-dihydronaphthalen-1-olate
Catalog ID
STL040319
SMILES COC(=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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-35-28(34)19-10-12-20(13-11-19)29-23-18-24(27(33)22-8-5-9-25(32)26(22)23)31-16-14-30(15-17-31)21-6-3-2-4-7-21/h2-13,18,32H,14-17H2,1H3/b29-23+InChIKey
GNCCYEIUWOKZSA-BYNJWEBRSA-NSynonyms
799834-16-5(8E)8((4(methoxycarbonyl)phenyl)imino)5oxo6(4phenylpiperazin4ium1yl)58dihydronaphthalen1olate
799834165
COC(=O)c1ccc(cc1)N=C1C=C(N2CC(NH+)(CC2)c2ccccc2)C(=O)c2c1c((O))ccc2
MFCD03684930
ZINC000002246566
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