Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629347
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O
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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 C24H25ClN2O6 MW 472.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O6/c25-17-9-15(23-16(10-17)13-31-14-32-23)11-21-22(30)18-1-2-20(29)19(24(18)33-21)12-27-5-3-26(4-6-27)7-8-28/h1-2,9-11,28-29H,3-8,12-14H2/b21-11-InChIKey
KNMHXTYCKCDWGN-NHDPSOOVSA-NSynonyms
929489-09-8(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
MFCD09797883
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
ZINC000020650473
ZINC20650473
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