Vitas-M small molecule compound

ethyl (4-{(1E)-2-cyano-3-oxo-3-[(1-phenylethyl)amino]prop-1-en-1-yl}-2-ethoxyphenoxy)acetate

Catalog ID
STK362400
SMILES CCOc1cc(ccc1OCC(=O)OCC)/C=C(/C(=O)NC(c1ccccc1)C)\C#N

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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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-4-29-22-14-18(11-12-21(22)31-16-23(27)30-5-2)13-20(15-25)24(28)26-17(3)19-9-7-6-8-10-19/h6-14,17H,4-5,16H2,1-3H3,(H,26,28)/b20-13+
InChIKey
WVGDYKBNIGRZQK-DEDYPNTBSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)C2=CC=CC=C2)OCC(=O)OCC
CCOc1cc(ccc1OCC(=O)OCC)C=C(C(=O)NC(c1ccccc1)C)C#N
ETHYL(4((1E)2CYANO3OXO3((1PHENYLETHYL)AMINO)PROP1EN1YL)2ETHOXYPHENOXY)ACETATE
ETHYL2(4((1E)2CYANO2(N(PHENYLETHYL)CARBAMOYL)VINYL)2ETHOXYPHENOXY)ACETATE
ETHYL2(4((E)2CYANO3OXO3(1PHENYLETHYLAMINO)PROP1ENYL)2ETHOXYPHENOXY)ACETATE
InChI=1SC24H26N2O5c1429221418(111221(22)311623(27)3052)1320(1525)24(28)2617(3)1997681019h61417H4516H213H3(H2628)b2013+
MFCD03835153
ZINC000004544463
ZINC000004544464

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Available files

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