Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Catalog ID
STK144249
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C20H20F3N3O2S MW 423.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O2S/c21-20(22,23)15-2-1-3-16(11-15)24-19(29)26-8-6-25(7-9-26)12-14-4-5-17-18(10-14)28-13-27-17/h1-5,10-11H,6-9,12-13H2,(H,24,29)InChIKey
JWHDRLSMWPMYEX-UHFFFAOYSA-NSynonyms
428825-23-4(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((3(TRIFLUOROMETHYL)PHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOAMIDE
428825234
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H20F3N3O2Sc2120(2223)1521316(1115)2419(29)268625(7926)1214451718(1014)28132717h151011H691213H2(H2429)
MFCD02920683
ZINC000019841104
ZINC19841104
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