Vitas-M small molecule compound

4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoic acid

Catalog ID
STK313250
SMILES COc1ccccc1c1nc(nc(c1)C(F)(F)F)S(=O)(=O)CCCC(=O)O

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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 C16H15F3N2O5S MW 404.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N2O5S/c1-26-12-6-3-2-5-10(12)11-9-13(16(17,18)19)21-15(20-11)27(24,25)8-4-7-14(22)23/h2-3,5-6,9H,4,7-8H2,1H3,(H,22,23)
InChIKey
CRTONYYTUQIFLW-UHFFFAOYSA-N
Synonyms
443105-09-7
4((4(2METHOXYPHENYL)6(TRIFLUOROMETHYL)2PYRIMIDINYL)SULFONYL)BUTANOICACID
4((4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoicacid
4((6(2METHOXYPHENYL)4(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOICACID
4(4(2METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYLBUTANOICACID
4(4(2METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYLBUTYRICACID
4(4(2METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLSULFONYL)BUTANOICACID
4(4(2METHOXYPHENYL)6TRIFLUOROMETHYLPYRIMIDINE2SULFONYL)BUTYRICACID
443105097
COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)O)C(F)(F)F
InChI=1SC16H15F3N2O5Sc12612632510(12)11913(16(1718)19)2115(2011)27(2425)84714(22)23h23569H478H21H3(H2223)
MFCD04968761
ZINC000004294574
ZINC4294574

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Available files

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