Vitas-M small molecule compound
(2E)-3-(2-bromo-5-ethoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}phenyl)prop-2-enoic acid
Catalog ID
STK400662
SMILES CCOc1cc(/C=C/C(=O)O)c(cc1OCC(=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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-2-27-18-12-16(8-9-21(25)26)17(22)13-19(18)28-14-20(24)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,23,24)(H,25,26)/b9-8+InChIKey
XMDRGYOLKKELAA-CMDGGOBGSA-NSynonyms
1120249-02-6(2E)3(2bromo5ethoxy4(2oxo2((2phenylethyl)amino)ethoxy)phenyl)prop2enoicacid
(E)3(2bromo5ethoxy4(2oxo2(2phenylethylamino)ethoxy)phenyl)prop2enoicacid
1120249026
CCOC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)NCCC2=CC=CC=C2
CCOc1cc(C=CC(=O)O)c(cc1OCC(=O)NCCc1ccccc1)Br
InChI=1SC21H22BrNO5c1227181216(8921(25)26)17(22)1319(18)281420(24)231110156435715h391213H2101114H21H3(H2324)(H2526)b98+
MFCD02256996
ZINC000022638125
ZINC22638125
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