Vitas-M small molecule compound
6-(4-ethoxy-3-methoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL371218
SMILES CCOc1ccc(cc1OC)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-3-28-17-5-4-16(9-18(17)27-2)19-25-26-20(23-24-21(26)29-19)22-10-13-6-14(11-22)8-15(7-13)12-22/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3InChIKey
HLEYCVZLFDWPSI-UHFFFAOYSA-NSynonyms
3(1adamantyl)6(4ethoxy3methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
6(4ethoxy3methoxyphenyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
CCOC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5)OC
InChI=1SC22H26N4O2Sc1328175416(918(17)272)19252620(232421(26)2919)221013614(1122)815(713)1222h4591315H3681012H212H3
ZINC000098086592
ZINC98086592
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