Vitas-M small molecule compound
(2E)-3-(3-bromo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}phenyl)prop-2-enoic acid
Catalog ID
STK398150
SMILES COc1cc(/C=C/C(=O)O)cc(c1OCC(=O)NCCc1ccccc1)Br
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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 C20H20BrNO5 MW 434.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO5/c1-26-17-12-15(7-8-19(24)25)11-16(21)20(17)27-13-18(23)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,22,23)(H,24,25)/b8-7+InChIKey
WTMWVIUCFMHERH-BQYQJAHWSA-NSynonyms
(2E)3(3bromo5methoxy4(2oxo2((2phenylethyl)amino)ethoxy)phenyl)prop2enoicacid
(E)3(3bromo5methoxy4(2oxo2(2phenylethylamino)ethoxy)phenyl)prop2enoicacid
COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2
COc1cc(C=CC(=O)O)cc(c1OCC(=O)NCCc1ccccc1)Br
InChI=1SC20H20BrNO5c126171215(7819(24)25)1116(21)20(17)271318(23)22109145324614h281112H91013H21H3(H2223)(H2425)b87+
MFCD02256667
ZINC000022077332
ZINC22077332
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