Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL056434
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+]1CCOCC1)/[O-])C
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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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-19(2)18-35-23-10-8-22(9-11-23)26(31)24-25(21-6-4-20(3)5-7-21)30(28(33)27(24)32)13-12-29-14-16-34-17-15-29/h4-11,19,25,31H,12-18H2,1-3H3/b26-24+InChIKey
PHVQPQAILLPVGM-SHHOIMCASA-NSynonyms
(4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4methylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4methylphenyl)1(2morpholin4ium4ylethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)1CCOCC1)(O))C
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
InChI=1SC28H34N2O5c119(2)18352310822(91123)26(31)2425(216420(3)5721)30(28(33)27(24)32)131229141634171529h411192531H1218H213H3b2624+
MFCD07209334
ZINC000102169806
ZINC000102169810
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