Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Catalog ID
STK456938
SMILES S=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1ccc2c(c1)OCO2
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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 C19H18F3N3O2S MW 409.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-2-1-3-15(10-13)24-6-8-25(9-7-24)18(28)23-14-4-5-16-17(11-14)27-12-26-16/h1-5,10-11H,6-9,12H2,(H,23,28)InChIKey
BKAYRGBZKMWQCK-UHFFFAOYSA-NSynonyms
(2HBENZO(34D)13DIOXOLAN5YLAMINO)(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)METHANE1THIONE
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC4=C(C=C3)OCO4
InChI=1SC19H18F3N3O2Sc2019(2122)1321315(1013)246825(9724)18(28)2314451617(1114)27122616h151011H6912H2(H2328)
MFCD04220497
N(13benzodioxol5yl)4(3(trifluoromethyl)phenyl)piperazine1carbothioamide
ZINC000002856927
ZINC02856927
ZINC2856927
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