Vitas-M small molecule compound

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

Catalog ID
STK340320
SMILES CCOC(=O)c1sc(c(c1C)C(=O)N)NC(=O)CCCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c1ccccc1OC

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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 C25H25F3N4O7S2 MW 614.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F3N4O7S2/c1-4-39-23(35)20-13(2)19(21(29)34)22(40-20)32-18(33)10-7-11-41(36,37)24-30-15(12-17(31-24)25(26,27)28)14-8-5-6-9-16(14)38-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,29,34)(H,32,33)
InChIKey
GNSZWBQUGMODRG-UHFFFAOYSA-N
Synonyms
725694-91-7
725694917
CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3OC)C(=O)N)C
ethyl4carbamoyl5((4((4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)3methylthiophene2carboxylate
ETHYL4CARBAMOYL5(4((6(2METHOXYPHENYL)4(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4carbamoyl5(4(4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)3methylthiophene2carboxylate
InChI=1SC25H25F3N4O7S2c143923(35)2013(2)19(21(29)34)22(4020)3218(33)1071141(3637)243015(1217(3124)25(2627)28)14856916(14)383h568912H471011H213H3(H22934)(H3233)
MFCD06164159
ZINC000098043142
ZINC98043142

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Available files

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