Vitas-M small molecule compound

(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one

Catalog ID
STK992756
SMILES OCCN1CCN(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-N
Synonyms
929489-09-8
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3(2H)one
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo1benzofuran6olate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)benzofuran3(2H)one
929489098
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Cl)C3=O)(O))CCO
InChI=1SC24H25ClN2O6c2517915(2316(1017)1331143223)112122(30)181220(29)19(24(18)3321)12275326(4627)7828h129112829H381214H2b2111
OCCN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O

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Available files

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