Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Catalog ID
STK457172
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1ccccc1C(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 C20H20F3N3O2S MW 423.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O2S/c21-20(22,23)15-3-1-2-4-16(15)24-19(29)26-9-7-25(8-10-26)12-14-5-6-17-18(11-14)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,24,29)InChIKey
USAZRKNGNDXCGM-UHFFFAOYSA-NSynonyms
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((2(TRIFLUOROMETHYL)PHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(2(TRIFLUOROMETHYL)PHENYL)1PIPERAZINECARBOTHIOAMIDE
4(13benzodioxol5ylmethyl)N(2(trifluoromethyl)phenyl)piperazine1carbothioamide
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C(F)(F)F
InChI=1SC20H20F3N3O2Sc2120(2223)15312416(15)2419(29)269725(81026)1214561718(1114)28132717h1611H7101213H2(H2429)
MFCD05061749
ZINC000013519892
ZINC13519892
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