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Vitas-M small molecule compound

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

Catalog ID
STK340375
SMILES CCCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccc(c(c2)OC)OC)sc(c1C)C(=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 C29H33F3N4O8S2 MW 686.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33F3N4O8S2/c1-7-12-44-27(39)23-16(2)24(26(38)36(3)4)45-25(23)35-22(37)9-8-13-46(40,41)28-33-18(15-21(34-28)29(30,31)32)17-10-11-19(42-5)20(14-17)43-6/h10-11,14-15H,7-9,12-13H2,1-6H3,(H,35,37)
InChIKey
VAIPNGNMWURBLJ-UHFFFAOYSA-N
Synonyms
685527-43-9
685527439
CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC
InChI=1SC29H33F3N4O8S2c17124427(39)2316(2)24(26(38)36(3)4)4525(23)3522(37)981346(4041)283318(1521(3428)29(3031)32)17101119(425)20(1417)436h10111415H791213H216H3(H3537)
MFCD06164215
propyl2((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
PROPYL2(4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
propyl2(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ZINC000033356906
ZINC33356906

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Available files

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

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