Vitas-M small molecule compound
4-(4-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide
Catalog ID
STK446917
SMILES S=C(N1CCN(CC1)c1ccc(cc1)C(=O)C)Nc1ccc2c(c1)OCCO2
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-15(25)16-2-5-18(6-3-16)23-8-10-24(11-9-23)21(28)22-17-4-7-19-20(14-17)27-13-12-26-19/h2-7,14H,8-13H2,1H3,(H,22,28)InChIKey
YNWZJIPVPUYWLM-UHFFFAOYSA-NSynonyms
1ACETYL4(4((2H3HBENZO(34E)14DIOXIN6YLAMINO)THIOXOMETHYL)PIPERAZINYL)BENZENE
4(4acetylphenyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC21H23N3O3Sc115(25)162518(6316)2381024(11923)21(28)2217471920(1417)2713122619h2714H813H21H3(H2228)
MFCD04059336
ZINC000006318182
ZINC06318182
ZINC6318182
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Check stock on Vitas-MAvailable files
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