Vitas-M small molecule compound
4-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-6-olate
Catalog ID
STK577674
SMILES OCCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C
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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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-12-8-16-14(10-15(12)21)13(9-17(22)23-16)11-19-4-2-18(3-5-19)6-7-20/h8-10,20-21H,2-7,11H2,1H3InChIKey
TXVDCUNEUJXKNW-UHFFFAOYSA-NSynonyms
900280-56-04((4(2hydroxyethyl)piperazin1ium1yl)methyl)7methyl2oxo2Hchromen6olate
6HYDROXY4((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)7METHYLCHROMEN2ONE
6HYDROXY4((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)7METHYLCHROMEN2ONE
CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CCO)O
InChI=1SC17H22N2O4c11281614(1015(12)21)13(917(22)2316)11194218(3519)6720h8102021H2711H21H3
MFCD06613494
OCCN1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc((O))c(c2)C
ZINC000020412522
ZINC20412522
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