Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK608728
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)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 C22H25N3O4 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4/c1-15-11-18(27)17(14-25-7-5-24(6-8-25)9-10-26)22-20(15)21(28)19(29-22)12-16-3-2-4-23-13-16/h2-4,11-13,26-27H,5-10,14H2,1H3/b19-12-InChIKey
VKTRXTGAKYEGMZ-UNOMPAQXSA-NSynonyms
904008-86-2(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYL2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
MFCD08292790
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C
ZINC000020591428
ZINC20591428
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