Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide

Catalog ID
STK164948
SMILES COCCNC(=S)N1CCN(CC1)Cc1ccc2c(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 C16H23N3O3S MW 337.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O3S/c1-20-9-4-17-16(23)19-7-5-18(6-8-19)11-13-2-3-14-15(10-13)22-12-21-14/h2-3,10H,4-9,11-12H2,1H3,(H,17,23)
InChIKey
HYDLPTQRNVQCHT-UHFFFAOYSA-N
Synonyms
708280-81-3
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((2METHOXYETHYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(2METHOXYETHYL)PIPERAZINE1CARBOTHIOAMIDE
4(benzo(d)(13)dioxol5ylmethyl)N(2methoxyethyl)piperazine1carbothioamide
708280813
COCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI=1SC16H23N3O3Sc120941716(23)197518(6819)1113231415(1013)22122114h2310H491112H21H3(H1723)
MFCD02757012
ZINC000019859244
ZINC19859244

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.