Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
Catalog ID
STK143408
SMILES COc1ccc(c(c1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)OC
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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-25-16-4-6-18(26-2)17(12-16)22-21(29)24-9-7-23(8-10-24)13-15-3-5-19-20(11-15)28-14-27-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,29)InChIKey
GNSJGDDYAYURLS-UHFFFAOYSA-NSynonyms
433313-79-2(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((25DIMETHOXYPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(25DIMETHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(benzo(d)(13)dioxol5ylmethyl)N(25dimethoxyphenyl)piperazine1carbothioamide
433313792
COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC21H25N3O4Sc125164618(262)17(1216)2221(29)249723(81024)1315351920(1115)28142719h361112H7101314H212H3(H2229)
MFCD03170582
ZINC000019841024
ZINC19841024
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