Vitas-M small molecule compound

(2Z)-2-[(5E)-5-(3-bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3,5-dimethylphenyl)ethanamide

Catalog ID
STK740782
SMILES N#C/C(=c\1/s/c(=C/c2cccc(c2)Br)/c(=O)n1c1ccccc1)/C(=O)Nc1cc(C)cc(c1)C

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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 C27H20BrN3O2S MW 530.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3O2S/c1-17-11-18(2)13-21(12-17)30-25(32)23(16-29)27-31(22-9-4-3-5-10-22)26(33)24(34-27)15-19-7-6-8-20(28)14-19/h3-15H,1-2H3,(H,30,32)/b24-15+,27-23-
InChIKey
MOURXNHHLXCDAD-JVUOWDJMSA-N
Synonyms

(2Z)2((5E)5((3BROMOPHENYL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)2CYANON(35DIMETHYLPHENYL)ACETAMIDE
(2Z)2((5E)5(3bromobenzylidene)4oxo3phenyl13thiazolidin2ylidene)2cyanoN(35dimethylphenyl)ethanamide
(E)2((E)5(3bromobenzylidene)4oxo3phenylthiazolidin2ylidene)2cyanoN(35dimethylphenyl)acetamide
CC1=CC(=CC(=C1)NC(=O)C(=C2N(C(=O)C(=CC3=CC(=CC=C3)Br)S2)C4=CC=CC=C4)C#N)C
InChI=1SC27H20BrN3O2Sc1171118(2)1321(1217)3025(32)23(1629)2731(2294351022)26(33)24(3427)151976820(28)1419h315H12H3(H3032)b2415+2723
MFCD06438709
N#CC(=c1sc(=Cc2cccc(c2)Br)c(=O)n1c1ccccc1)C(=O)Nc1cc(C)cc(c1)C
N(35DIMETHYLPHENYL)2(5((3BROMOPHENYL)METHYLENE)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))2CYANOACETAMIDE
ZINC000097968763
ZINC97968763

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Available files

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