Vitas-M small molecule compound

(E)-(4-chlorophenyl){2-(5-methylfuran-2-yl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK565162
SMILES Cc1ccc(o1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[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 C22H23ClN2O5 MW 430.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O5/c1-14-2-7-17(30-14)19-18(20(26)15-3-5-16(23)6-4-15)21(27)22(28)25(19)9-8-24-10-12-29-13-11-24/h2-7,19,26H,8-13H2,1H3/b20-18+
InChIKey
LWOCPYXQQUPORL-CZIZESTLSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(5METHYLFURAN2YL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(5methylfuran2yl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(5METHYLFURAN2YL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CC1=CC=C(O1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCN4CCOCC4
Cc1ccc(o1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC22H23ClN2O5c1142717(3014)1918(20(26)153516(23)6415)21(27)22(28)25(19)9824101229131124h271926H813H21H3b2018+
MFCD18244705
ZINC000009041122
ZINC000009041125

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Available files

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