Vitas-M small molecule compound

4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide

Catalog ID
STK456940
SMILES S=C(N1CCN(CC1)c1ccc(cc1)C(=O)C)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-14(24)15-2-5-17(6-3-15)22-8-10-23(11-9-22)20(27)21-16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3,(H,21,27)
InChIKey
NXOCBOJXNXZEMX-UHFFFAOYSA-N
Synonyms

1ACETYL4(4((2HBENZO(34D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)PIPERAZINYL)BENZENE
4(4acetylphenyl)N(13benzodioxol5yl)piperazine1carbothioamide
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4
InChI=1SC20H21N3O3Sc114(24)152517(6315)2281023(11922)20(27)2116471819(1216)26132518h2712H81113H21H3(H2127)
MFCD04220621
ZINC000002858168
ZINC02858168
ZINC2858168

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Available files

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