Vitas-M small molecule compound
ethyl (2E)-{(2E)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Catalog ID
STL237058
SMILES CCOC(=O)/C=c\1/s/c(=C(/C(=O)NC)\C#N)/n(c1=O)c1ccc(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 C17H14BrN3O4S MW 436.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O4S/c1-3-25-14(22)8-13-16(24)21(11-6-4-10(18)5-7-11)17(26-13)12(9-19)15(23)20-2/h4-8H,3H2,1-2H3,(H,20,23)/b13-8+,17-12+InChIKey
XJIRHEYDTGXFEH-KYNROGAISA-NSynonyms
850743-41-8(E)ethyl2((E)3(4bromophenyl)2(1cyano2(methylamino)2oxoethylidene)4oxothiazolidin5ylidene)acetate
850743418
CCOC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)NC)S1)C2=CC=C(C=C2)Br
CCOC(=O)C=c1sc(=C(C(=O)NC)C#N)n(c1=O)c1ccc(cc1)Br
ethyl(2E)((2E)3(4bromophenyl)2(1cyano2(methylamino)2oxoethylidene)4oxo13thiazolidin5ylidene)ethanoate
ETHYL(2E)2((2E)3(4BROMOPHENYL)2(1CYANO2(METHYLAMINO)2OXOETHYLIDENE)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
InChI=1SC17H14BrN3O4Sc132514(22)81316(24)21(116410(18)5711)17(2613)12(919)15(23)202h48H3H212H3(H2023)b138+1712+
MFCD05693632
ZINC000013810722
ZINC13810722
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