Vitas-M small molecule compound
5-(quinolin-2-yl)-4-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328748
SMILES Sc1nnc(n1C(C12CC3CC(C2)CC(C1)C3)C)c1ccc2c(n1)cccc2
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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 C23H26N4S MW 390.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4S/c1-14(23-11-15-8-16(12-23)10-17(9-15)13-23)27-21(25-26-22(27)28)20-7-6-18-4-2-3-5-19(18)24-20/h2-7,14-17H,8-13H2,1H3,(H,26,28)InChIKey
IEEXBARNBNSFKA-UHFFFAOYSA-NSynonyms
4(1(1adamantyl)ethyl)3quinolin2yl1H124triazole5thione
5(quinolin2yl)4(1(tricyclo(3311~37~)dec1yl)ethyl)4H124triazole3thiol
CC(C12CC3CC(C1)CC(C3)C2)N4C(=NNC4=S)C5=NC6=CC=CC=C6C=C5
InChI=1SC23H26N4Sc114(231115816(1223)1017(915)1323)2721(252622(27)28)207618423519(18)2420h271417H813H21H3(H2628)
MFCD06013853
ZINC000004718047
ZINC000004718048
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