Vitas-M small molecule compound
(2E)-2-[(5E)-5-(5-bromo-2-ethoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoethanamide
Catalog ID
STL051638
SMILES CCOc1ccc(cc1/C=c\1/s/c(=C(/C(=O)Nc2ccc(cc2)Cl)\C#N)/n(c1=O)c1ccccc1)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 C27H19BrClN3O3S MW 580.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrClN3O3S/c1-2-35-23-13-8-18(28)14-17(23)15-24-26(34)32(21-6-4-3-5-7-21)27(36-24)22(16-30)25(33)31-20-11-9-19(29)10-12-20/h3-15H,2H2,1H3,(H,31,33)/b24-15+,27-22+InChIKey
YNDAKAQDTXMQMX-TUECKBEMSA-NSynonyms
(2E)2((5E)5((5BROMO2ETHOXYPHENYL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)N(4CHLOROPHENYL)2CYANOACETAMIDE
(2E)2((5E)5(5bromo2ethoxybenzylidene)4oxo3phenyl13thiazolidin2ylidene)N(4chlorophenyl)2cyanoethanamide
(E)2((E)5(5bromo2ethoxybenzylidene)4oxo3phenylthiazolidin2ylidene)N(4chlorophenyl)2cyanoacetamide
CCOC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)S2)C4=CC=CC=C4
CCOc1ccc(cc1C=c1sc(=C(C(=O)Nc2ccc(cc2)Cl)C#N)n(c1=O)c1ccccc1)Br
InChI=1SC27H19BrClN3O3Sc12352313818(28)1417(23)152426(34)32(216435721)27(3624)22(1630)25(33)312011919(29)101220h315H2H21H3(H3133)b2415+2722+
MFCD05730142
ZINC000097970094
ZINC97970094
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