Vitas-M small molecule compound

(E)-(4-chlorophenyl)[2-(2,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STK566449
SMILES Clc1ccc(c(c1)Cl)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[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 C23H15Cl3N2O3 MW 473.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15Cl3N2O3/c24-15-5-3-14(4-6-15)21(29)19-20(17-8-7-16(25)10-18(17)26)28(23(31)22(19)30)12-13-2-1-9-27-11-13/h1-11,20,29H,12H2/b21-19+
InChIKey
QNDZYNSYEJQHJY-XUTLUUPISA-N
Synonyms
488795-97-7
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(24DICHLOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4CHLOROPHENYL)(2(24DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4chlorophenyl)(2(24dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
488795977
C1=CC(=CN=C1)CN2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)(O)
InChI=1SC23H15Cl3N2O3c24155314(4615)21(29)1920(178716(25)1018(17)26)28(23(31)22(19)30)1213219271113h1112029H12H2b2119+
MFCD18245025
ZINC000102541833
ZINC000102541839

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.