Vitas-M small molecule compound

ethyl 2-{[(1E)-3-(4-butoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoate

Catalog ID
STK902364
SMILES CCCCOc1ccc(cc1)C(=O)/C=C/Nc1ccccc1C(=O)OCC

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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 C22H25NO4 MW 367.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4/c1-3-5-16-27-18-12-10-17(11-13-18)21(24)14-15-23-20-9-7-6-8-19(20)22(25)26-4-2/h6-15,23H,3-5,16H2,1-2H3/b15-14+
InChIKey
QEHLKKKCLSXWJO-CCEZHUSRSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C(=O)C=CNC2=CC=CC=C2C(=O)OCC
CCCCOc1ccc(cc1)C(=O)C=CNc1ccccc1C(=O)OCC
ethyl2(((1E)3(4butoxyphenyl)3oxoprop1en1yl)amino)benzoate
ethyl2(((E)3(4butoxyphenyl)3oxoprop1enyl)amino)benzoate
InChI=1SC22H25NO4c135162718121017(111318)21(24)14152320976819(20)22(25)2642h61523H3516H212H3b1514+
MFCD18174890
ZINC000044843049
ZINC44843049

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Available files

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