Vitas-M small molecule compound

ethyl 5-acetyl-2-[(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-4-methylthiophene-3-carboxylate

Catalog ID
STK340316
SMILES CCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccccc2OC)sc(c1C)C(=O)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 C26H26F3N3O7S2 MW 613.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3N3O7S2/c1-5-39-24(35)21-14(2)22(15(3)33)40-23(21)32-20(34)11-8-12-41(36,37)25-30-17(13-19(31-25)26(27,28)29)16-9-6-7-10-18(16)38-4/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,32,34)
InChIKey
UKRHKGHYVZXLNY-UHFFFAOYSA-N
Synonyms
685526-97-0
685526970
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3OC
ethyl5acetyl2((4((4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2(4((6(2METHOXYPHENYL)4(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5acetyl2(4(4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)4methylthiophene3carboxylate
InChI=1SC26H26F3N3O7S2c153924(35)2114(2)22(15(3)33)4023(21)3220(34)1181241(3637)253017(1319(3125)26(2728)29)169671018(16)384h6791013H581112H214H3(H3234)
MFCD06164155
ZINC000098043139
ZINC98043139

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Available files

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