Vitas-M small molecule compound

methyl (2E)-{(2Z)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate

Catalog ID
STL112009
SMILES N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccc(cc1)Br)/C(=O)NC

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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 C16H12BrN3O4S MW 422.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O4S/c1-19-14(22)11(8-18)16-20(10-5-3-9(17)4-6-10)15(23)12(25-16)7-13(21)24-2/h3-7H,1-2H3,(H,19,22)/b12-7+,16-11-
InChIKey
FOJALGNTRSTTFE-DPLCJLRXSA-N
Synonyms

(E)methyl2((E)3(4bromophenyl)2(1cyano2(methylamino)2oxoethylidene)4oxothiazolidin5ylidene)acetate
CNC(=O)C(=C1N(C(=O)C(=CC(=O)OC)S1)C2=CC=C(C=C2)Br)C#N
InChI=1SC16H12BrN3O4Sc11914(22)11(818)1620(10539(17)4610)15(23)12(2516)713(21)242h37H12H3(H1922)b127+1611
methyl(2E)((2Z)3(4bromophenyl)2(1cyano2(methylamino)2oxoethylidene)4oxo13thiazolidin5ylidene)ethanoate
METHYL(2E)2((2Z)3(4BROMOPHENYL)2(1CYANO2(METHYLAMINO)2OXOETHYLIDENE)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
METHYL2(3(4BROMOPHENYL)2(CYANO(NMETHYLCARBAMOYL)METHYLENE)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
MFCD06438452
N#CC(=c1sc(=CC(=O)OC)c(=O)n1c1ccc(cc1)Br)C(=O)NC
ZINC000009909732
ZINC09909732
ZINC9909732

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Available files

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