Vitas-M small molecule compound

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[3-(trifluoromethyl)phenyl]amino}methylidene]-4-methylbenzenesulfonamide

Catalog ID
STK044416
SMILES Cc1nc(nc(c1)C)N/C(=N\S(=O)(=O)c1ccc(cc1)C)/Nc1cccc(c1)C(F)(F)F

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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 C21H20F3N5O2S MW 463.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O2S/c1-13-7-9-18(10-8-13)32(30,31)29-20(28-19-25-14(2)11-15(3)26-19)27-17-6-4-5-16(12-17)21(22,23)24/h4-12H,1-3H3,(H2,25,26,27,28,29)
InChIKey
LFJOTSGVYBKXFT-UHFFFAOYSA-N
Synonyms
351226-01-2
(E)N(((46dimethylpyrimidin2yl)amino)((3(trifluoromethyl)phenyl)amino)methylene)4methylbenzenesulfonamide
1(46DIMETHYLPYRIMIDIN2YL)2(4METHYLPHENYL)SULFONYL3(3(TRIFLUOROMETHYL)PHENYL)GUANIDINE
351226012
CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=CC(=C2)C(F)(F)F)NC3=NC(=CC(=N3)C)C
Cc1nc(nc(c1)C)NC(=NS(=O)(=O)c1ccc(cc1)C)Nc1cccc(c1)C(F)(F)F
InChI=1SC21H20F3N5O2Sc1137918(10813)32(3031)2920(28192514(2)1115(3)2619)271764516(1217)21(2223)24h412H13H3(H22526272829)
MFCD01796451
N(((46DIMETHYLPYRIMIDIN2YL)AMINO)((3(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLIDENE)4METHYLBENZENESULFONAMIDE
N((Z)((46DIMETHYLPYRIMIDIN2YL)AMINO)((3(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLIDENE)4METHYLBENZENESULFONAMIDE
STK044416
ZINC000013942801
ZINC13942801

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Available files

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