Vitas-M small molecule compound

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

Catalog ID
STK558899
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[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 C22H22ClN3O4 MW 427.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)20(27)18-19(15-5-7-24-8-6-15)26(22(29)21(18)28)10-9-25-11-13-30-14-12-25/h1-8,19,27H,9-14H2/b20-18+
InChIKey
BPHSBXKFVTWSRF-CZIZESTLSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
C1COCCN1CCN2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=NC=C4
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)1CCOCC1)(O)
InChI=1SC22H22ClN3O4c23173116(2417)20(27)1819(1557248615)26(22(29)21(18)28)10925111330141225h181927H914H2b2018+
MFCD18243137
ZINC000102483058
ZINC000102483068

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Available files

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