Vitas-M small molecule compound
methyl [(5E)-5-{3-bromo-4-[(2-cyanobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK152241
SMILES COC(=O)CN1C(=O)S/C(=C/c2ccc(c(c2)Br)OCc2ccccc2C#N)/C1=O
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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 C21H15BrN2O5S MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN2O5S/c1-28-19(25)11-24-20(26)18(30-21(24)27)9-13-6-7-17(16(22)8-13)29-12-15-5-3-2-4-14(15)10-23/h2-9H,11-12H2,1H3/b18-9+InChIKey
NZMHXMYERRFZLF-GIJQJNRQSA-NSynonyms
COC(=O)CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)SC1=O
COC(=O)CN1C(=O)SC(=Cc2ccc(c(c2)Br)OCc2ccccc2C#N)C1=O
InChI=1SC21H15BrN2O5Sc12819(25)112420(26)18(3021(24)27)9136717(16(22)813)291215532414(15)1023h29H1112H21H3b189+
METHYL((5E)5(3BROMO4((2CYANOBENZYL)OXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL(5(3BROMO4((2CYANOBENZYL)OXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03700078
ZINC000008399441
ZINC08399441
ZINC8399441
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