Vitas-M small molecule compound
3-(4-chlorophenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK620744
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)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 C22H23ClN2O4 MW 414.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O4/c23-17-4-1-15(2-5-17)18-13-16-3-6-20(27)19(21(16)29-22(18)28)14-25-9-7-24(8-10-25)11-12-26/h1-6,13,26-27H,7-12,14H2InChIKey
NLWZYHRABMWJTR-UHFFFAOYSA-NSynonyms
869340-75-03(4CHLOROPHENYL)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
3(4chlorophenyl)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)2oxo2Hchromen7olate
C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O
InChI=1SC22H23ClN2O4c23174115(2517)1813163620(27)19(21(16)2922(18)28)14259724(81025)111226h16132627H71214H2
MFCD06405984
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(=O)c(c2)c1ccc(cc1)Cl
ZINC000020605085
ZINC20605085
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