Vitas-M small molecule compound
6-(2,3-dihydro-1,4-benzodioxin-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
STL221395
SMILES c1ccc2c(c1)OC(CO2)c1nn2c(s1)nnc2C12CC3CC(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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-2-4-16-15(3-1)26-11-17(27-16)18-24-25-19(22-23-20(25)28-18)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14,17H,5-11H2InChIKey
IBDLQMZHYMWVBQ-UHFFFAOYSA-NSynonyms
3(1adamantyl)6(23dihydro14benzodioxin3yl)(124)triazolo(34b)(134)thiadiazole
6(23dihydro14benzodioxin2yl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6COC7=CC=CC=C7O6
InChI=1SC21H22N4O2Sc1241615(31)261117(2716)18242519(222320(25)2818)21812513(921)714(612)1021h14121417H511H2
ZINC000080346303
ZINC000080346305
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