Vitas-M small molecule compound
(2Z)-2-(phenylsulfonyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile
Catalog ID
STK716006
SMILES N#C/C(=C/N1CCN(CC1)c1cccc(c1)C(F)(F)F)/S(=O)(=O)c1ccccc1
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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 C20H18F3N3O2S MW 421.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-5-4-6-17(13-16)26-11-9-25(10-12-26)15-19(14-24)29(27,28)18-7-2-1-3-8-18/h1-8,13,15H,9-12H2/b19-15-InChIKey
KLLWNSSZKLLNGP-CYVLTUHYSA-NSynonyms
(2Z)2(phenylsulfonyl)3(4(3(trifluoromethyl)phenyl)piperazin1yl)prop2enenitrile
(E)2(phenylsulfonyl)3(4(3(trifluoromethyl)phenyl)piperazin1yl)acrylonitrile
(Z)2(benzenesulfonyl)3(4(3(trifluoromethyl)phenyl)piperazin1yl)prop2enenitrile
C1CN(CCN1C=C(C#N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC20H18F3N3O2Sc2120(2223)1654617(1316)2611925(101226)1519(1424)29(2728)187213818h181315H912H2b1915
MFCD09058157
N#CC(=CN1CCN(CC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
ZINC000008845923
ZINC08845923
ZINC8845923
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