Vitas-M small molecule compound

methyl 4-[(E)-{(2E)-2-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl]benzoate

Catalog ID
STK660971
SMILES COC(=O)c1ccc(cc1)/C=c\1/s/c(=C(/C(=O)Nc2ccccc2)\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 C27H19N3O4S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O4S/c1-34-27(33)19-14-12-18(13-15-19)16-23-25(32)30(21-10-6-3-7-11-21)26(35-23)22(17-28)24(31)29-20-8-4-2-5-9-20/h2-16H,1H3,(H,29,31)/b23-16+,26-22+
InChIKey
DDQLJRUXIWOEGD-PXCYAORCSA-N
Synonyms
850729-12-3
850729123
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)NC3=CC=CC=C3)S2)C4=CC=CC=C4
COC(=O)c1ccc(cc1)C=c1sc(=C(C(=O)Nc2ccccc2)C#N)n(c1=O)c1ccccc1
InChI=1SC27H19N3O4Sc13427(33)19141218(131519)162325(32)30(21106371121)26(3523)22(1728)24(31)29208425920h216H1H3(H2931)b2316+2622+
METHYL4((2(CYANO(NPHENYLCARBAMOYL)METHYLENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((E)((2E)2(1cyano2oxo2(phenylamino)ethylidene)4oxo3phenyl13thiazolidin5ylidene)methyl)benzoate
METHYL4((E)((2E)2(2ANILINO1CYANO2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((E)((E)2(1cyano2oxo2(phenylamino)ethylidene)4oxo3phenylthiazolidin5ylidene)methyl)benzoate
MFCD05692817
ZINC000002398644
ZINC02398644
ZINC2398644

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Available files

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