Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
Catalog ID
STK261840
SMILES O=C(C1COc2c(O1)cccc2)N1CCN(CC1)C(=S)Nc1ccccc1C
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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/c1-15-6-2-3-7-16(15)22-21(28)24-12-10-23(11-13-24)20(25)19-14-26-17-8-4-5-9-18(17)27-19/h2-9,19H,10-14H2,1H3,(H,22,28)InChIKey
QXZDLXRKWOIYJB-UHFFFAOYSA-NSynonyms
2H3HBENZO(E)14DIOXAN2YL4(((2METHYLPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYLKETONE
4(23dihydro14benzodioxin2ylcarbonyl)N(2methylphenyl)piperazine1carbothioamide
4(23dihydro14benzodioxine3carbonyl)N(2methylphenyl)piperazine1carbothioamide
CC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3
InChI=1SC21H23N3O3Sc115623716(15)2221(28)24121023(111324)20(25)19142617845918(17)2719h2919H1014H21H3(H2228)
MFCD07153250
ZINC000007556966
ZINC000007556968
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