Vitas-M small molecule compound

ethyl 4,5-dimethyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)thiophene-3-carboxylate

Catalog ID
STK838938
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)C(F)(F)F)sc(c1C)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 C16H18F3N3O3S MW 389.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O3S/c1-5-25-15(24)13-9(3)10(4)26-14(13)20-12(23)7-22-8(2)6-11(21-22)16(17,18)19/h6H,5,7H2,1-4H3,(H,20,23)
InChIKey
LIFYMRLKGFHAIM-UHFFFAOYSA-N
Synonyms
357611-69-9
357611699
45DIMETHYL2(2(5METHYL3TRIFLUOROMETHYLPYRAZOL1YL)ACETYLAMINO)THIOPHENE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C
ETHYL45DIMETHYL2(((5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)ACETYL)AMINO)3THIOPHENECARBOXYLATE
ethyl45dimethyl2(((5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2((2(5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)ACETAMIDO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(5METHYL3(TRIFLUOROMETHYL)PYRAZOLYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC16H18F3N3O3Sc152515(24)139(3)10(4)2614(13)2012(23)7228(2)611(2122)16(1718)19h6H57H214H3(H2023)
MFCD01450482
ZINC000000845154
ZINC00845154
ZINC845154

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Available files

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