Vitas-M small molecule compound
6-(1-benzofuran-2-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL221393
SMILES c1ccc2c(c1)oc(c2)c1sc2n(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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-2-4-16-15(3-1)8-17(26-16)18-24-25-19(22-23-20(25)27-18)21-9-12-5-13(10-21)7-14(6-12)11-21/h1-4,8,12-14H,5-7,9-11H2InChIKey
OLAVYYVMBNYVQR-UHFFFAOYSA-NSynonyms
3(1adamantyl)6(1benzofuran2yl)(124)triazolo(34b)(134)thiadiazole
6(1benzofuran2yl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC7=CC=CC=C7O6
InChI=1SC21H20N4OSc1241615(31)817(2616)18242519(222320(25)2718)21912513(1021)714(612)1121h1481214H57911H2
ZINC000080346296
ZINC80346296
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