Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK627669
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2C)c1ccc(c(c1)OC)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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-16-18-5-6-20(29)19(15-27-10-8-26(9-11-27)12-13-28)24(18)33-25(30)23(16)17-4-7-21(31-2)22(14-17)32-3/h4-7,14,28-29H,8-13,15H2,1-3H3InChIKey
TXQIVEFDAQGUCB-UHFFFAOYSA-NSynonyms
869340-80-73(34DIMETHOXYPHENYL)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLCHROMEN2ONE
3(34dimethoxyphenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl2oxo2Hchromen7olate
3(34dimethoxyphenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C1C=CC(=C2C(NH+)3CCN(CC3)CCO)(O))C4=CC(=C(C=C4)OC)OC
InChI=1SC25H30N2O6c116185620(29)19(152710826(91127)121328)24(18)3325(30)23(16)174721(312)22(1417)323h47142829H81315H213H3
MFCD06405989
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2C)c1ccc(c(c1)OC)OC
ZINC000020605098
ZINC20605098
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