Vitas-M small molecule compound

6-chloro-8'-[(2-methylpiperidinium-1-yl)methyl]-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate

Catalog ID
STL532581
SMILES Clc1ccc2c(c1)cc(c(=O)o2)c1cc(=O)oc2c1ccc(c2C[NH+]1CCCCC1C)[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 C25H22ClNO5 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO5/c1-14-4-2-3-9-27(14)13-20-21(28)7-6-17-18(12-23(29)32-24(17)20)19-11-15-10-16(26)5-8-22(15)31-25(19)30/h5-8,10-12,14,28H,2-4,9,13H2,1H3
InChIKey
IUWWTJGSLPGPTR-UHFFFAOYSA-N
Synonyms
859131-14-9
44666363
6chloro8((2methylpiperidinium1yl)methyl)22dioxo2H2H34bichromen7olate
859131149
MFCD06492640
ZINC000009319517
ZINC000009319520

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Available files

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