Vitas-M small molecule compound

3-(2,5-dimethoxyphenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-chromen-2-one

Catalog ID
STL034143
SMILES OCCN1CCN(CC1)Cc1c(O)ccc2c1oc(=O)c(c2C)c1cc(OC)ccc1OC

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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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-16-18-5-6-21(29)20(15-27-10-8-26(9-11-27)12-13-28)24(18)33-25(30)23(16)19-14-17(31-2)4-7-22(19)32-3/h4-7,14,28-29H,8-13,15H2,1-3H3
InChIKey
KGIMKFXANMYPIM-UHFFFAOYSA-N
Synonyms
864751-88-2
3(25dimethoxyphenyl)7hydroxy8((4(2hydroxyethyl)piperazin1yl)methyl)4methyl2Hchromen2one
3(25DIMETHOXYPHENYL)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4METHYLCHROMEN2ONE
3(25DIMETHOXYPHENYL)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLCHROMEN2ONE
3(25dimethoxyphenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl2oxochromen7olate
864751882
CC1=C(C(=O)OC2=C1C=CC(=C2C(NH+)3CCN(CC3)CCO)(O))C4=C(C=CC(=C4)OC)OC
InChI=1SC25H30N2O6c116185621(29)20(152710826(91127)121328)24(18)3325(30)23(16)191417(312)4722(19)323h47142829H81315H213H3
MFCD06766828
ZINC000020612202
ZINC20612202

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Available files

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