Vitas-M small molecule compound

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

Catalog ID
STK340390
SMILES COc1ccc(cc1OC)c1nc(nc(c1)C(F)(F)F)S(=O)(=O)CCCC(=O)Nc1ccn(n1)Cc1ccccc1C

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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 C28H28F3N5O5S MW 603.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3N5O5S/c1-18-7-4-5-8-20(18)17-36-13-12-25(35-36)34-26(37)9-6-14-42(38,39)27-32-21(16-24(33-27)28(29,30)31)19-10-11-22(40-2)23(15-19)41-3/h4-5,7-8,10-13,15-16H,6,9,14,17H2,1-3H3,(H,34,35,37)
InChIKey
UVKFQSDSDRSUQH-UHFFFAOYSA-N
Synonyms
897542-82-4
4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)N(1((2METHYLPHENYL)METHYL)PYRAZOL3YL)BUTANAMIDE
4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)N(1(2methylbenzyl)1Hpyrazol3yl)butanamide
4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylN(1((2methylphenyl)methyl)pyrazol3yl)butanamide
897542824
CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCCS(=O)(=O)C3=NC(=CC(=N3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC
InChI=1SC28H28F3N5O5Sc118745820(18)1736131225(3536)3426(37)961442(3839)273221(1624(3327)28(2930)31)19101122(402)23(1519)413h457810131516H691417H213H3(H343537)
MFCD06164230
ZINC000098043186
ZINC98043186

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Available files

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