Vitas-M small molecule compound
ethyl {2-bromo-4-[(E)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
Catalog ID
STK153297
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)C
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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 C23H21BrN2O6S MW 533.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6S/c1-3-31-21(28)13-32-18-9-6-15(10-17(18)24)11-19-22(29)26(23(30)33-19)12-20(27)25-16-7-4-14(2)5-8-16/h4-11H,3,12-13H2,1-2H3,(H,25,27)/b19-11+InChIKey
XXKPABUNKBXNSN-YBFXNURJSA-NSynonyms
496768-07-1496768071
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)C)Br
CCOC(=O)COc1ccc(cc1Br)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)C
ETHYL(2BROMO4((E)(3(2((4METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(2bromo4((E)(3(2(4methylanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
InChI=1SC23H21BrN2O6Sc133121(28)1332189615(1017(18)24)111922(29)26(23(30)3319)1220(27)25167414(2)5816h411H31213H212H3(H2527)b1911+
MFCD02611848
ZINC000100275386
ZINC100275386
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