Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]piperazine-1-carbothioamide
Catalog ID
STK326871
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)NC(C12CC3CC(C2)CC(C1)C3)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 C25H35N3O2S MW 441.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O2S/c1-17(25-12-19-8-20(13-25)10-21(9-19)14-25)26-24(31)28-6-4-27(5-7-28)15-18-2-3-22-23(11-18)30-16-29-22/h2-3,11,17,19-21H,4-10,12-16H2,1H3,(H,26,31)InChIKey
WRNFMPHOCUMKHB-UHFFFAOYSA-NSynonyms
4(13benzodioxol5ylmethyl)N(1(tricyclo(3311~37~)dec1yl)ethyl)piperazine1carbothioamide
CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC25H35N3O2Sc117(251219820(1325)1021(919)1425)2624(31)286427(5728)1518232223(1118)30162922h2311171921H4101216H21H3(H2631)
MFCD03759907
N(1(1ADAMANTYL)ETHYL)4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000012383189
ZINC000012383190
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