Vitas-M small molecule compound

ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate

Catalog ID
STK763521
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)CC

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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 C16H20F3N3O3S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20F3N3O3S/c1-5-10-9(4)26-13(11(10)8-20)22-15(16(17,18)19,14(24)25-7-3)21-12(23)6-2/h22H,5-7H2,1-4H3,(H,21,23)
InChIKey
FRLBXXPJYRHVER-UHFFFAOYSA-N
Synonyms
352317-29-4
2(3CYANO4ETHYL5METHYLTHIOPHEN2YLAMINO)333TRIFLUORO2PROPIONYLAMINOPROPIONICACIDETHYLESTER
352317294
CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC)C
ETHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)333TRIFLUORO2(PROPANOYLAMINO)PROPANOATE
ethyl2((3cyano4ethyl5methylthiophen2yl)amino)333trifluoro2propionamidopropanoate
ETHYLN(3CYANO4ETHYL5METHYLTHIOPHEN2YL)333TRIFLUORO2(PROPANOYLAMINO)ALANINATE
ETHYLN(3CYANO4ETHYL5METHYLTHIOPHEN2YL)333TRIFLUORO2(PROPANOYLAMINO)DALANINATE
InChI=1SC16H20F3N3O3Sc15109(4)2613(11(10)820)2215(16(1718)1914(24)2573)2112(23)62h22H57H214H3(H2123)
MFCD01947962
ZINC000002281178
ZINC000002281179

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Available files

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