Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK567493
SMILES Oc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C25H26N2O7 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7/c28-18-3-1-2-16(14-18)22-21(23(29)17-4-5-19-20(15-17)34-13-12-33-19)24(30)25(31)27(22)7-6-26-8-10-32-11-9-26/h1-5,14-15,22,28-29H,6-13H2/b23-21+InChIKey
PXFICWDYVTYNPI-XTQSDGFTSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3HYDROXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3hydroxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3HYDROXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
C1COCC(NH+)1CCN2C(C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C2=O)C5=CC(=CC=C5)O
InChI=1SC25H26N2O7c281831216(1418)2221(23(29)17451920(1517)3413123319)24(30)25(31)27(22)76268103211926h151415222829H613H2b2321+
MFCD18245156
Oc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
ZINC000102547749
ZINC000102547761
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.