Vitas-M small molecule compound

methyl {2-bromo-6-chloro-4-[(E)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate

Catalog ID
STK153310
SMILES COC(=O)COc1c(Cl)cc(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 C22H18BrClN2O6S MW 553.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O6S/c1-12-3-5-14(6-4-12)25-18(27)10-26-21(29)17(33-22(26)30)9-13-7-15(23)20(16(24)8-13)32-11-19(28)31-2/h3-9H,10-11H2,1-2H3,(H,25,27)/b17-9+
InChIKey
KTJPECXIBIMLCV-RQZCQDPDSA-N
Synonyms

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)OC)Cl)SC2=O
COC(=O)COc1c(Cl)cc(cc1Br)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)C
InChI=1SC22H18BrClN2O6Sc1123514(6412)2518(27)102621(29)17(3322(26)30)913715(23)20(16(24)813)321119(28)312h39H1011H212H3(H2527)b179+
METHYL(2BROMO6CHLORO4((E)(3(2((4METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(2BROMO6CHLORO4((E)(3(2(4METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD02611886
ZINC000100275470
ZINC100275470

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Available files

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