Vitas-M small molecule compound
(E)-{2-(3-methoxy-4-propoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STL044994
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-3-16-36-22-11-10-21(19-23(22)34-2)25-24(26(31)20-8-5-4-6-9-20)27(32)28(33)30(25)13-7-12-29-14-17-35-18-15-29/h4-6,8-11,19,25,31H,3,7,12-18H2,1-2H3/b26-24+InChIKey
IIQIXLJHRPZECL-SHHOIMCASA-NSynonyms
615270-19-4(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(3METHOXY4PROPOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3methoxy4propoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(2(3METHOXY4PROPOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
3HYDROXY5(3METHOXY4PROPOXYPHENYL)1(3MORPHOLIN4YLPROPYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
615270194
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H34N2O6c13163622111021(1923(22)342)2524(26(31)208546920)27(32)28(33)30(25)1371229141735181529h46811192531H371218H212H3b2624+
MFCD18248534
ZINC000009008577
ZINC000009008578
Check stock
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Check stock on Vitas-MAvailable files
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