Vitas-M small molecule compound

(E)-(4-chlorophenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL149513
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc[nH+]c1)/[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 C26H23ClN2O3 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O3/c1-16(2)18-5-7-19(8-6-18)23-22(24(30)20-9-11-21(27)12-10-20)25(31)26(32)29(23)15-17-4-3-13-28-14-17/h3-14,16,23,30H,15H2,1-2H3/b24-22+
InChIKey
NOTJRJLLRHSPHC-ZNTNEXAZSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(4(PROPAN2YL)PHENYL)1(PYRIDIN3YLMETHYL)25DIHYDRO1HPYRROL2ONE
4(4CHLOROBENZOYL)3HYDROXY5(4ISOPROPYLPHENYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CC4=CN=CC=C4
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC26H23ClN2O3c116(2)185719(8618)2322(24(30)2091121(27)121020)25(31)26(32)29(23)15174313281417h314162330H15H212H3b2422+
MFCD20755618
ZINC000102929401
ZINC000102929404

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Available files

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