Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
Catalog ID
STK456520
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1ccc(c(c1)Cl)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 C19H19ClFN3O2S MW 407.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFN3O2S/c20-15-10-14(2-3-16(15)21)22-19(27)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)InChIKey
IZVWTJIIIRVVNN-UHFFFAOYSA-NSynonyms
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((3CHLORO4FLUOROPHENYL)AMINO)METHANE1THIONE
4(13benzodioxol5ylmethyl)N(3chloro4fluorophenyl)piperazine1carbothioamide
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)F)Cl
InChI=1SC19H19ClFN3O2Sc20151014(2316(15)21)2219(27)247523(6824)1113141718(913)26122517h14910H581112H2(H2227)
MFCD02609534
ZINC000020364023
ZINC20364023
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