Vitas-M small molecule compound

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

Catalog ID
STK095552
SMILES Cc1ccc(cc1)NC(=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 C20H23N3O2S MW 369.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2S/c1-15-2-5-17(6-3-15)21-20(26)23-10-8-22(9-11-23)13-16-4-7-18-19(12-16)25-14-24-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,26)
InChIKey
QRNVMOFVACTIFW-UHFFFAOYSA-N
Synonyms
402781-97-9
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((4METHYLPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(4METHYLPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(BENZO(D)(13)DIOXOL5YLMETHYL)N(PTOLYL)PIPERAZINE1CARBOTHIOAMIDE
402781979
CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Cc1ccc(cc1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC20H23N3O2Sc1152517(6315)2120(26)2310822(91123)1316471819(1216)25142418h2712H8111314H21H3(H2126)
MFCD01962203
STK095552
ZINC000019810046
ZINC19810046

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Available files

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