Vitas-M small molecule compound
3-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-ethyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4H-1,2,4-triazole
Catalog ID
STK473470
SMILES CCn1c(nnc1CC12CC3CC(C2)CC(C1)C3)SCc1ccc(cc1Cl)F
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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 C22H27ClFN3S MW 419.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClFN3S/c1-2-27-20(12-22-9-14-5-15(10-22)7-16(6-14)11-22)25-26-21(27)28-13-17-3-4-18(24)8-19(17)23/h3-4,8,14-16H,2,5-7,9-13H2,1H3InChIKey
HKEVTXBNVZXPJK-UHFFFAOYSA-NSynonyms
3((2chloro4fluorobenzyl)sulfanyl)4ethyl5(tricyclo(3311~37~)dec1ylmethyl)4H124triazole
3(1adamantylmethyl)5((2chloro4fluorophenyl)methylsulfanyl)4ethyl124triazole
5(ADAMANTANYLMETHYL)3((2CHLORO4FLUOROPHENYL)METHYLTHIO)4ETHYL124TRIAZOLE
CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)CC34CC5CC(C3)CC(C5)C4
InChI=1SC22H27ClFN3Sc122720(1222914515(1022)716(614)1122)252621(27)2813173418(24)819(17)23h3481416H257913H21H3
ZINC000017092063
ZINC17092063
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