Vitas-M small molecule compound

ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STK888551
SMILES CCOC(=O)c1oc2c(CN3CCN(CC3)C)c(O)ccc2c(=O)c1c1ccc(cc1)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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-4-32-25(30)24-21(16-5-7-17(31-3)8-6-16)22(29)18-9-10-20(28)19(23(18)33-24)15-27-13-11-26(2)12-14-27/h5-10,28H,4,11-15H2,1-3H3
InChIKey
UPYYDKCLUGHWGK-UHFFFAOYSA-N
Synonyms
637747-30-9
2ETHOXYCARBONYL3(4METHOXYPHENYL)8((4METHYLPIPERAZIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)(O))C(NH+)3CCN(CC3)C)C4=CC=C(C=C4)OC
ethyl7hydroxy3(4methoxyphenyl)8((4methylpiperazin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL7HYDROXY3(4METHOXYPHENYL)8((4METHYLPIPERAZIN1YL)METHYL)4OXOCHROMENE2CARBOXYLATE
ETHYL7HYDROXY3(4METHOXYPHENYL)8((4METHYLPIPERAZINYL)METHYL)4OXOCHROMENE2CARBOXYLATE
InChI=1SC25H28N2O6c143225(30)2421(165717(313)8616)22(29)1891020(28)19(23(18)3324)1527131126(2)121427h51028H41115H213H3
ZINC19682134

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Available files

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