Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
Catalog ID
STK060455
SMILES COc1cc(cc(c1)OC)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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/c1-25-17-10-16(11-18(12-17)26-2)22-21(29)24-7-5-23(6-8-24)13-15-3-4-19-20(9-15)28-14-27-19/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,22,29)InChIKey
KGMGHWUGOJXSDO-UHFFFAOYSA-NSynonyms
433261-56-44(13BENZODIOXOL5YLMETHYL)N(35DIMETHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
4(benzo(d)(13)dioxol5ylmethyl)N(35dimethoxyphenyl)piperazine1carbothioamide
433261564
COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC
COc1cc(cc(c1)OC)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H25N3O4Sc125171016(1118(1217)262)2221(29)247523(6824)1315341920(915)28142719h34912H581314H212H3(H2229)
MFCD03170583
STK060455
ZINC000019957303
ZINC19957303
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