Vitas-M small molecule compound
4-(3,4-dichlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide
Catalog ID
STK447018
SMILES S=C(N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)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 C20H21Cl2N3O2S MW 438.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N3O2S/c21-16-3-1-14(11-17(16)22)13-24-5-7-25(8-6-24)20(28)23-15-2-4-18-19(12-15)27-10-9-26-18/h1-4,11-12H,5-10,13H2,(H,23,28)InChIKey
BJBVZDUTBIBHES-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)(4((34DICHLOROPHENYL)METHYL)PIPERAZINYL)METHANE1THIONE
4((34dichlorophenyl)methyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
4(34dichlorobenzyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC20H21Cl2N3O2Sc21163114(1117(16)22)13245725(8624)20(28)2315241819(1215)271092618h141112H51013H2(H2328)
MFCD04059272
ZINC000017101988
ZINC17101988
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