Vitas-M small molecule compound
(E)-{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL042859
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC[NH+]1CCOCC1)/[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 C28H32N2O7 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7/c1-3-15-37-21-8-5-19(6-9-21)26(32)24-25(20-7-10-22(31)23(18-20)35-2)30(28(34)27(24)33)12-4-11-29-13-16-36-17-14-29/h3,5-10,18,25,31-32H,1,4,11-17H2,2H3/b26-24+InChIKey
GOIXTTBREZRLLD-SHHOIMCASA-NSynonyms
845809-00-9(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
845809009
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC(NH+)1CCOCC1)(O)
COC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4)O
InChI=1SC28H32N2O7c131537218519(6921)26(32)2425(2071022(31)23(1820)352)30(28(34)27(24)33)1241129131636171429h351018253132H141117H22H3b2624+
MFCD18248192
ZINC000009357067
ZINC000009436079
Check stock
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Check stock on Vitas-MAvailable files
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