Vitas-M small molecule compound
(2E)-3-{4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxyphenyl}prop-2-enoic acid
Catalog ID
STK398152
SMILES COc1cc(/C=C/C(=O)O)c(cc1OCC(=O)NCc1ccccc1)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 C19H18BrNO5 MW 420.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrNO5/c1-25-16-9-14(7-8-19(23)24)15(20)10-17(16)26-12-18(22)21-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,22)(H,23,24)/b8-7+InChIKey
KZWCBEZIMAETOI-BQYQJAHWSA-NSynonyms
(2E)3(4(2(benzylamino)2oxoethoxy)2bromo5methoxyphenyl)prop2enoicacid
(E)3(4(2(benzylamino)2oxoethoxy)2bromo5methoxyphenyl)prop2enoicacid
COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)NCC2=CC=CC=C2
COc1cc(C=CC(=O)O)c(cc1OCC(=O)NCc1ccccc1)Br
InChI=1SC19H18BrNO5c12516914(7819(23)24)15(20)1017(16)261218(22)2111135324613h210H1112H21H3(H2122)(H2324)b87+
MFCD02256919
ZINC000022077336
ZINC22077336
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