Vitas-M small molecule compound
(2E)-2-[(4-methylphenyl)sulfonyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile
Catalog ID
STK829093
SMILES N#C/C(=C\N1CCN(CC1)c1cccc(c1)C(F)(F)F)/S(=O)(=O)c1ccc(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 C21H20F3N3O2S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O2S/c1-16-5-7-19(8-6-16)30(28,29)20(14-25)15-26-9-11-27(12-10-26)18-4-2-3-17(13-18)21(22,23)24/h2-8,13,15H,9-12H2,1H3/b20-15+InChIKey
OZLUYPOHUXGUAT-HMMYKYKNSA-NSynonyms
885186-47-0(2E)2((4methylphenyl)sulfonyl)3(4(3(trifluoromethyl)phenyl)piperazin1yl)prop2enenitrile
(E)2(4methylphenyl)sulfonyl3(4(3(trifluoromethyl)phenyl)piperazin1yl)prop2enenitrile
(E)2tosyl3(4(3(trifluoromethyl)phenyl)piperazin1yl)acrylonitrile
885186470
CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N
InChI=1SC21H20F3N3O2Sc1165719(8616)30(2829)20(1425)152691127(121026)1842317(1318)21(2223)24h281315H912H21H3b2015+
MFCD07643044
N#CC(=CN1CCN(CC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C
ZINC000010233002
ZINC10233002
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