Vitas-M small molecule compound

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

Catalog ID
STL531515
SMILES CCC1CCCC[NH+]1Cc1c([O-])ccc2c1oc(=O)cc2c1cc2cccc(c2oc1=O)OC

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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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-3-17-8-4-5-12-28(17)15-21-22(29)11-10-18-19(14-24(30)33-26(18)21)20-13-16-7-6-9-23(32-2)25(16)34-27(20)31/h6-7,9-11,13-14,17,29H,3-5,8,12,15H2,1-2H3
InChIKey
FXAHGALVUUIDKP-UHFFFAOYSA-N
Synonyms
859858-85-8
44664278
8((2ethylpiperidin1ium1yl)methyl)4(8methoxy2oxochromen3yl)2oxochromen7olate
8((2ethylpiperidinium1yl)methyl)8methoxy22dioxo2H2H34bichromen7olate
859858858
InChI=1SC27H27NO6c13178451228(17)152122(29)11101819(1424(30)3326(18)21)20131676923(322)25(16)3427(20)31h6791113141729H3581215H212H3
MFCD05673331
ZINC000008951962
ZINC000009357517

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Available files

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