Vitas-M small molecule compound
3-(4-chlorophenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK624782
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2C)c1ccc(cc1)Cl
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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 C23H25ClN2O4 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O4/c1-15-18-6-7-20(28)19(14-26-10-8-25(9-11-26)12-13-27)22(18)30-23(29)21(15)16-2-4-17(24)5-3-16/h2-7,27-28H,8-14H2,1H3InChIKey
FCHWYWVABSFBEA-UHFFFAOYSA-NSynonyms
869340-76-13(4CHLOROPHENYL)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLCHROMEN2ONE
3(4chlorophenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl2oxo2Hchromen7olate
3(4chlorophenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C1C=CC(=C2C(NH+)3CCN(CC3)CCO)(O))C4=CC=C(C=C4)Cl
InChI=1SC23H25ClN2O4c115186720(28)19(142610825(91126)121327)22(18)3023(29)21(15)162417(24)5316h272728H814H21H3
MFCD06405985
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2C)c1ccc(cc1)Cl
ZINC000020605087
ZINC20605087
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