Vitas-M small molecule compound

(E)-(3-chloro-4-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK564419
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C24H26ClN3O5 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O5/c1-32-19-4-3-17(15-18(19)25)22(29)20-21(16-5-7-26-8-6-16)28(24(31)23(20)30)10-2-9-27-11-13-33-14-12-27/h3-8,15,21,29H,2,9-14H2,1H3/b22-20+
InChIKey
UFBJRTUNBDLEIO-LSDHQDQOSA-N
Synonyms
578748-88-6
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
578748886
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC24H26ClN3O5c132194317(1518(19)25)22(29)2021(1657268616)28(24(31)23(20)30)102927111333141227h38152129H2914H21H3b2220+
MFCD18244529
ZINC000102527723
ZINC000102527730

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Available files

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