Vitas-M small molecule compound

dimethyl 5-[(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK340370
SMILES COC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccc(c(c2)OC)OC)sc(c1C)C(=O)OC

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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 C26H26F3N3O9S2 MW 645.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3N3O9S2/c1-13-20(23(34)40-4)22(42-21(13)24(35)41-5)32-19(33)7-6-10-43(36,37)25-30-15(12-18(31-25)26(27,28)29)14-8-9-16(38-2)17(11-14)39-3/h8-9,11-12H,6-7,10H2,1-5H3,(H,32,33)
InChIKey
QHMROTWSBBYUJD-UHFFFAOYSA-N
Synonyms
685527-39-3
685527393
CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC)C(=O)OC
dimethyl5((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)3methylthiophene24dicarboxylate
dimethyl5(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)3methylthiophene24dicarboxylate
InChI=1SC26H26F3N3O9S2c11320(23(34)404)22(4221(13)24(35)415)3219(33)761043(3637)253015(1218(3125)26(2728)29)148916(382)17(1114)393h891112H6710H215H3(H3233)
METHYL2(4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD06164210
ZINC000098043167
ZINC98043167

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Available files

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