Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328983
SMILES Sc1nnc(n1c1ccc2c(c1)OCO2)C12CC3CC(C2)CC(C1)C3
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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 C19H21N3O2S MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2S/c25-18-21-20-17(19-7-11-3-12(8-19)5-13(4-11)9-19)22(18)14-1-2-15-16(6-14)24-10-23-15/h1-2,6,11-13H,3-5,7-10H2,(H,21,25)InChIKey
LFGPMNIUWFGVGU-UHFFFAOYSA-NSynonyms
878419-01-33(1ADAMANTYL)4(13BENZODIOXOL5YL)1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(tricyclo(3311~37~)dec1yl)4H124triazole3thiol
5ADAMANTAN1YL4BENZO(13)DIOXOL5YL4H(124)TRIAZOLE3THIOL
878419013
C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC6=C(C=C5)OCO6
InChI=1SC19H21N3O2Sc2518212017(19711312(819)513(411)919)22(18)14121516(614)24102315h1261113H35710H2(H2125)
MFCD06617719
ZINC000006445432
ZINC04414346
ZINC06445432
ZINC6445432
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