Vitas-M small molecule compound

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate

Catalog ID
STK762838
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)N(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 C16H21F3N4O3S MW 406.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21F3N4O3S/c1-6-10-9(3)27-12(11(10)8-20)21-15(16(17,18)19,13(24)26-7-2)22-14(25)23(4)5/h21H,6-7H2,1-5H3,(H,22,25)
InChIKey
HHJJXGKDGJKDAG-UHFFFAOYSA-N
Synonyms
299922-90-0
299922900
CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)N(C)C)C
ETHYL2((3CYANO4ETHYL5METHYL2THIENYL)AMINO)2(((DIMETHYLAMINO)CARBONYL)AMINO)333TRIFLUOROPROPANOATE
ETHYL2((3CYANO4ETHYL5METHYLTHIEN2YL)AMINO)N((DIMETHYLAMINO)CARBONYL)333TRIFLUOROALANINATE
ETHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)2(DIMETHYLCARBAMOYLAMINO)333TRIFLUOROPROPANOATE
ethyl2((3cyano4ethyl5methylthiophen2yl)amino)N(dimethylcarbamoyl)333trifluoroalaninate
ETHYL2((NNDIMETHYLCARBAMOYL)AMINO)2((3CYANO4ETHYL5METHYL(2THIENYL))AMINO)333TRIFLUOROPROPANOATE
InChI=1SC16H21F3N4O3Sc16109(3)2712(11(10)820)2115(16(1718)1913(24)2672)2214(25)23(4)5h21H67H215H3(H2225)
MFCD02110630
PROPANOICACID2(3CYANO4ETHYL5METHYL2THIENYLAMINO)333TRIFLUORO2(DIMETHYLAMINOCARBONYLAMINO)ETHYLESTER
ZINC000003671508
ZINC000003671509

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Available files

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