Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide
Catalog ID
STK093616
SMILES Cc1ccc(c(c1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C
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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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-15-3-4-16(2)18(11-15)22-21(27)24-9-7-23(8-10-24)13-17-5-6-19-20(12-17)26-14-25-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,27)InChIKey
ZLXREHXMBLEGFG-UHFFFAOYSA-NSynonyms
433258-10-7(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((25DIMETHYLPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(25DIMETHYLPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(benzo(d)(13)dioxol5ylmethyl)N(25dimethylphenyl)piperazine1carbothioamide
433258107
CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Cc1ccc(c(c1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C
InChI=1SC21H25N3O2Sc1153416(2)18(1115)2221(27)249723(81024)1317561920(1217)26142519h361112H7101314H212H3(H2227)
MFCD03170577
STK093616
ZINC000019956705
ZINC19956705
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