Vitas-M small molecule compound

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

Catalog ID
STL530100
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(=O)cc2c1cc2cc(Br)ccc2oc1=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 C25H22BrNO5 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrNO5/c1-14-3-2-8-27(12-14)13-20-21(28)6-5-17-18(11-23(29)32-24(17)20)19-10-15-9-16(26)4-7-22(15)31-25(19)30/h4-7,9-11,14,28H,2-3,8,12-13H2,1H3
InChIKey
DPBHGVWXZWDYKQ-UHFFFAOYSA-N
Synonyms
859660-69-8
44665802
6bromo8((3methylpiperidinium1yl)methyl)22dioxo2H2H34bichromen7olate
859660698
MFCD06493839
ZINC000008788796
ZINC000011865063

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Available files

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