Vitas-M small molecule compound

(E)-[4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STL055396
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[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/c1-20(2)19-35-23-11-9-22(10-12-23)26(31)24-25(21-7-4-3-5-8-21)30(28(33)27(24)32)14-6-13-29-15-17-34-18-16-29/h3-5,7-12,20,25,31H,6,13-19H2,1-2H3/b26-24+
InChIKey
IEINFSPXWLBMMR-SHHOIMCASA-N
Synonyms

(4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(4(2methylpropoxy)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(4(2METHYLPROPOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CC=C4)(O)
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)1CCOCC1)(O))C
InChI=1SC28H34N2O5c120(2)19352311922(101223)26(31)2425(217435821)30(28(33)27(24)32)1461329151734181629h35712202531H61319H212H3b2624+
MFCD18249676
ZINC000102170073
ZINC000102170078

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Available files

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