Vitas-M small molecule compound
2-[(3-bromophenyl)amino]-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Catalog ID
STL187578
SMILES COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(c2)Br)cc(c1OC)OC
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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 C20H20BrNO6 MW 450.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO6/c1-25-16-9-13(10-17(26-2)20(16)27-3)7-8-19(24)28-12-18(23)22-15-6-4-5-14(21)11-15/h4-11H,12H2,1-3H3,(H,22,23)/b8-7+InChIKey
SQMRZFVHXUGRBG-BQYQJAHWSA-NSynonyms
(2(3bromoanilino)2oxoethyl)(E)3(345trimethoxyphenyl)prop2enoate
2((3bromophenyl)amino)2oxoethyl(2E)3(345trimethoxyphenyl)prop2enoate
COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)Br
COc1cc(C=CC(=O)OCC(=O)Nc2cccc(c2)Br)cc(c1OC)OC
InChI=1SC20H20BrNO6c12516913(1017(262)20(16)273)7819(24)281218(23)221564514(21)1115h411H12H213H3(H2223)b87+
MFCD05286222
ZINC000028280089
ZINC28280089
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