Vitas-M small molecule compound

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

Catalog ID
STL532902
SMILES O=c1oc2c(C)c([O-])c(cc2c(c1)c1cc2ccccc2oc1=O)C[NH+]1CCCC(C1)C

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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 C26H25NO5 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5/c1-15-6-5-9-27(13-15)14-18-11-20-19(12-23(28)32-25(20)16(2)24(18)29)21-10-17-7-3-4-8-22(17)31-26(21)30/h3-4,7-8,10-12,15,29H,5-6,9,13-14H2,1-2H3
InChIKey
BKKAOFOFKUVIMN-UHFFFAOYSA-N
Synonyms
859109-93-6
44664474
859109936
8methyl6((3methylpiperidin1ium1yl)methyl)2oxo4(2oxochromen3yl)chromen7olate
8methyl6((3methylpiperidinium1yl)methyl)22dioxo2H2H34bichromen7olate
InChI=1SC26H25NO5c11565927(1315)1418112019(1223(28)3225(20)16(2)24(18)29)211017734822(17)3126(21)30h347810121529H5691314H212H3
MFCD05675043
ZINC000002158790
ZINC000002158796

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Available files

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