Vitas-M small molecule compound
2-{2-[3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL221401
SMILES O=C1N(CCc2sc3n(n2)c(nn3)C23CC4CC(C3)CC(C2)C4)C(=O)c2c1cccc2
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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 C23H23N5O2S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S/c29-19-16-3-1-2-4-17(16)20(30)27(19)6-5-18-26-28-21(24-25-22(28)31-18)23-10-13-7-14(11-23)9-15(8-13)12-23/h1-4,13-15H,5-12H2InChIKey
VYEAXKPXBJNKJF-UHFFFAOYSA-NSynonyms
2(2(3(1adamantyl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)isoindole13dione
2(2(3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)1Hisoindole13(2H)dione
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)CCN6C(=O)C7=CC=CC=C7C6=O
InChI=1SC23H23N5O2Sc291916312417(16)20(30)27(19)6518262821(242522(28)3118)231013714(1123)915(813)1223h141315H512H2
ZINC000080346329
ZINC80346329
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