Vitas-M small molecule compound

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

Catalog ID
STL369969
SMILES COC(=O)COc1ccc(cc1/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc(c(c1)C)C)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 C23H21BrN2O6S MW 533.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6S/c1-13-4-6-17(8-14(13)2)25-20(27)11-26-22(29)19(33-23(26)30)10-15-9-16(24)5-7-18(15)32-12-21(28)31-3/h4-10H,11-12H2,1-3H3,(H,25,27)/b19-10+
InChIKey
YHMUPFSHDOOFPA-VXLYETTFSA-N
Synonyms

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)OC)SC2=O)C
COC(=O)COc1ccc(cc1C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc(c(c1)C)C)Br
InChI=1SC23H21BrN2O6Sc1134617(814(13)2)2520(27)112622(29)19(3323(26)30)1015916(24)5718(15)321221(28)313h410H1112H213H3(H2527)b1910+
methyl(4bromo2((E)(3(2((34dimethylphenyl)amino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
METHYL2(4BROMO2((E)(3(2(34DIMETHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03905695
ZINC000100248720
ZINC100248720

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Available files

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