Vitas-M small molecule compound
6-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL221383
SMILES COc1ccccc1/C=C/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 C22H24N4OS MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS/c1-27-18-5-3-2-4-17(18)6-7-19-25-26-20(23-24-21(26)28-19)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-7,14-16H,8-13H2,1H3/b7-6+InChIKey
NCOADNBOEBGCHG-VOTSOKGWSA-NSynonyms
3(1adamantyl)6((E)2(2methoxyphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
6((E)2(2methoxyphenyl)ethenyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
COC1=CC=CC=C1C=CC2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5
COc1ccccc1C=Cc1nn2c(s1)nnc2C12CC3CC(C2)CC(C1)C3
InChI=1SC22H24N4OSc12718532417(18)6719252620(232421(26)2819)221114815(1222)1016(914)1322h271416H813H21H3b76+
ZINC000080346259
ZINC80346259
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