Vitas-M small molecule compound

(1E,2E)-1-{2-(2-chlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate

Catalog ID
STL036902
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/[O-])/C1c1ccccc1Cl)CC

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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 C25H27ClN2O3 MW 438.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O3/c1-3-27(4-2)16-17-28-23(19-12-8-9-13-20(19)26)22(24(30)25(28)31)21(29)15-14-18-10-6-5-7-11-18/h5-15,23,29H,3-4,16-17H2,1-2H3/b15-14+,22-21+
InChIKey
GORRAJAFVGSUAJ-IXOMXNGKSA-N
Synonyms

CC(NH+)(CCN1C(=O)C(=O)C(=C(C=Cc2ccccc2)(O))C1c1ccccc1Cl)CC
MFCD18247318
ZINC000013617931
ZINC000013617933

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Available files

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