Vitas-M small molecule compound

4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]butanamide

Catalog ID
STK340391
SMILES COc1ccc(cc1OC)c1nc(nc(c1)C(F)(F)F)S(=O)(=O)CCCC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)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 C30H32F3N5O5S MW 631.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32F3N5O5S/c1-18-8-10-21(11-9-18)17-38-20(3)28(19(2)37-38)36-27(39)7-6-14-44(40,41)29-34-23(16-26(35-29)30(31,32)33)22-12-13-24(42-4)25(15-22)43-5/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,36,39)
InChIKey
DXEALESJZBFLMI-UHFFFAOYSA-N
Synonyms
897542-84-6
4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)N(35DIMETHYL1((4METHYLPHENYL)METHYL)PYRAZOL4YL)BUTANAMIDE
4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)N(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)butanamide
4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylN(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)butanamide
897542846
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CCCS(=O)(=O)C3=NC(=CC(=N3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC30H32F3N5O5Sc11881021(11918)173820(3)28(19(2)3738)3627(39)761444(4041)293423(1626(3529)30(3132)33)22121324(424)25(1522)435h8131516H671417H215H3(H3639)
MFCD06164231
ZINC000098043187
ZINC98043187

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Available files

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