Vitas-M small molecule compound

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

Catalog ID
STL021577
SMILES COc1cccc(c1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)Cl)/C#N)/n(c1=O)c1ccccc1

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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 C26H18ClN3O3S MW 487.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O3S/c1-33-21-9-5-6-17(14-21)15-23-25(32)30(20-7-3-2-4-8-20)26(34-23)22(16-28)24(31)29-19-12-10-18(27)11-13-19/h2-15H,1H3,(H,29,31)/b23-15+,26-22-
InChIKey
GRTOKUKAXIJRSN-UMIMOJHWSA-N
Synonyms

(2Z)N(4chlorophenyl)2cyano2((5E)5((3methoxyphenyl)methylidene)4oxo3phenyl13thiazolidin2ylidene)acetamide
(2Z)N(4chlorophenyl)2cyano2((5E)5(3methoxybenzylidene)4oxo3phenyl13thiazolidin2ylidene)ethanamide
(E)N(4chlorophenyl)2cyano2((E)5(3methoxybenzylidene)4oxo3phenylthiazolidin2ylidene)acetamide
COC1=CC=CC(=C1)C=C2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)S2)C4=CC=CC=C4
COc1cccc(c1)C=c1sc(=C(C(=O)Nc2ccc(cc2)Cl)C#N)n(c1=O)c1ccccc1
InChI=1SC26H18ClN3O3Sc1332195617(1421)152325(32)30(207324820)26(3423)22(1628)24(31)2919121018(27)111319h215H1H3(H2931)b2315+2622
MFCD06438457
N(4CHLOROPHENYL)2CYANO2(5((3METHOXYPHENYL)METHYLENE)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))ACETAMIDE
ZINC000012273830
ZINC12273830

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Available files

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