Vitas-M small molecule compound

methyl 2-{(3E)-2-(4-bromophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL041689
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)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 C23H16BrClN2O5S MW 547.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrClN2O5S/c1-11-20(22(31)32-2)33-23(26-11)27-17(12-3-7-14(24)8-4-12)16(19(29)21(27)30)18(28)13-5-9-15(25)10-6-13/h3-10,17,28H,1-2H3/b18-16+
InChIKey
NGKWEYATQDACPK-FBMGVBCBSA-N
Synonyms
380904-71-2
380904712
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)Br)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)Br
InChI=1SC23H16BrClN2O5Sc11120(22(31)322)3323(2611)2717(123714(24)8412)16(19(29)21(27)30)18(28)135915(25)10613h3101728H12H3b1816+
methyl2((3E)2(4bromophenyl)3((4chlorophenyl)(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)2(4BROMOPHENYL)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05724854
ZINC000102868931
ZINC000102868933

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Available files

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