Vitas-M small molecule compound

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

Catalog ID
STL021591
SMILES N#C/C(=c\1/s/c(=C/c2ccncc2)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)C)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 C26H20N4O2S MW 452.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O2S/c1-17-8-9-20(14-18(17)2)29-24(31)22(16-27)26-30(21-6-4-3-5-7-21)25(32)23(33-26)15-19-10-12-28-13-11-19/h3-15H,1-2H3,(H,29,31)/b23-15+,26-22-
InChIKey
XKTCFJRAWQGLFJ-UMIMOJHWSA-N
Synonyms

(2Z)2CYANON(34DIMETHYLPHENYL)2((5E)4OXO3PHENYL5(PYRIDIN4YLMETHYLIDENE)13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2Z)2cyanoN(34dimethylphenyl)2((5E)4oxo3phenyl5(pyridin4ylmethylidene)13thiazolidin2ylidene)ethanamide
(E)2cyanoN(34dimethylphenyl)2((E)4oxo3phenyl5(pyridin4ylmethylene)thiazolidin2ylidene)acetamide
CC1=C(C=C(C=C1)NC(=O)C(=C2N(C(=O)C(=CC3=CC=NC=C3)S2)C4=CC=CC=C4)C#N)C
InChI=1SC26H20N4O2Sc1178920(1418(17)2)2924(31)22(1627)2630(216435721)25(32)23(3326)1519101228131119h315H12H3(H2931)b2315+2622
MFCD06438519
N#CC(=c1sc(=Cc2ccncc2)c(=O)n1c1ccccc1)C(=O)Nc1ccc(c(c1)C)C
N(34DIMETHYLPHENYL)2CYANO2(4OXO3PHENYL5(4PYRIDYLMETHYLENE)(13THIAZOLIDIN2YLIDENE))ACETAMIDE
ZINC000012273845
ZINC12273845

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.