Vitas-M small molecule compound
methyl (5-bromo-4-{(E)-[3-(4-bromo-3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STL378594
SMILES COC(=O)COc1cc(Br)c(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)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 C20H14Br2ClNO5S2 MW 607.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Br2ClNO5S2/c1-27-15-5-10(13(22)8-16(15)29-9-18(25)28-2)6-17-19(26)24(20(30)31-17)11-3-4-12(21)14(23)7-11/h3-8H,9H2,1-2H3/b17-6+InChIKey
WWTDOFJQHLPPGA-UBKPWBPPSA-NSynonyms
COC(=O)COc1cc(Br)c(cc1OC)C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)Br)Cl)Br)OCC(=O)OC
InChI=1SC20H14Br2ClNO5S2c12715510(13(22)816(15)29918(25)282)61719(26)24(20(30)3117)113412(21)14(23)711h38H9H212H3b176+
methyl(5bromo4((E)(3(4bromo3chlorophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)acetate
methyl2(5bromo4((E)(3(4bromo3chlorophenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenoxy)acetate
MFCD03614130
ZINC000100318497
ZINC100318497
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