Vitas-M small molecule compound
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Catalog ID
STL177748
SMILES Clc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)c1nnc(o1)c1cccc(c1)C(F)(F)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 C21H19ClF3N5O MW 449.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N5O/c22-18-26-11-30(29-18)20-8-12-4-13(9-20)7-19(6-12,10-20)17-28-27-16(31-17)14-2-1-3-15(5-14)21(23,24)25/h1-3,5,11-13H,4,6-10H2InChIKey
KXTSFVVLADRLES-UHFFFAOYSA-NSynonyms
832120-11-32(3(3chloro124triazol1yl)1adamantyl)5(3(trifluoromethyl)phenyl)134oxadiazole
2(3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)5(3(trifluoromethyl)phenyl)134oxadiazole
832120113
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C5=NN=C(O5)C6=CC(=CC=C6)C(F)(F)F
InChI=1SC21H19ClF3N5Oc2218261130(2918)20812413(920)719(6121020)17282716(3117)1421315(514)21(2324)25h1351113H4610H2
ZINC000002803574
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