Vitas-M small molecule compound
6-[(4-methoxyphenoxy)methyl]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL221367
SMILES COc1ccc(cc1)OCc1sc2n(n1)c(nn2)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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-26-16-2-4-17(5-3-16)27-12-18-24-25-19(22-23-20(25)28-18)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3InChIKey
HXPULVRQARDQFN-UHFFFAOYSA-NSynonyms
3(1adamantyl)6((4methoxyphenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
6((4methoxyphenoxy)methyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
COC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5
InChI=1SC21H24N4O2Sc126162417(5316)271218242519(222320(25)2818)21913614(1021)815(713)1121h251315H612H21H3
ZINC000080346194
ZINC80346194
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