Vitas-M small molecule compound
2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK232364
SMILES CCn1c(SCC(=O)NC23CC4CC(C3)CC(C2)C4)nnc1c1ccccc1F
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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 C22H27FN4OS MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN4OS/c1-2-27-20(17-5-3-4-6-18(17)23)25-26-21(27)29-13-19(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,24,28)InChIKey
UTQQGXQFZCYQKP-UHFFFAOYSA-NSynonyms
2((4ethyl5(2fluorophenyl)4H124triazol3yl)sulfanyl)N(tricyclo(3311~37~)dec1yl)acetamide
CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5F
InChI=1SC22H27FN4OSc122720(17534618(17)23)252621(27)291319(28)24221014715(1122)916(814)1222h361416H2713H21H3(H2428)
MFCD07399528
N(1ADAMANTYL)2((4ETHYL5(2FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000004944057
ZINC04944057
ZINC4944057
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