Vitas-M small molecule compound

6,8-bis[(2-ethylpiperidinium-1-yl)methyl]-4-oxo-2-phenyl-4H-chromene-5,7-diolate

Catalog ID
STL528280
SMILES CCC1CCCC[NH+]1Cc1c([O-])c(C[NH+]2CCCCC2CC)c(c2c1oc(cc2=O)c1ccccc1)[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 C31H40N2O4 MW 504.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O4/c1-3-22-14-8-10-16-32(22)19-24-29(35)25(20-33-17-11-9-15-23(33)4-2)31-28(30(24)36)26(34)18-27(37-31)21-12-6-5-7-13-21/h5-7,12-13,18,22-23,35-36H,3-4,8-11,14-17,19-20H2,1-2H3
InChIKey
DYXAVASMACJLPD-UHFFFAOYSA-N
Synonyms
384360-99-0
384360990
4395973
68bis((2ethylpiperidinium1yl)methyl)4oxo2phenyl4Hchromene57diolate
MFCD03265915
ZINC000020113031
ZINC000251619849

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Available files

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