Vitas-M small molecule compound
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Catalog ID
STK780812
SMILES O=C(c1onc(n1)Cn1nc(c(c1C)Br)C)NCCC12CC3CC(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 C21H28BrN5O2 MW 462.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28BrN5O2/c1-12-18(22)13(2)27(25-12)11-17-24-20(29-26-17)19(28)23-4-3-21-8-14-5-15(9-21)7-16(6-14)10-21/h14-16H,3-11H2,1-2H3,(H,23,28)InChIKey
LHMYGNDMGWUCDP-UHFFFAOYSA-NSynonyms
3((4bromo35dimethyl1Hpyrazol1yl)methyl)N(2(tricyclo(3311~37~)dec1yl)ethyl)124oxadiazole5carboxamide
CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)C)Br
InChI=1SC21H28BrN5O2c11218(22)13(2)27(2512)11172420(292617)19(28)234321814515(921)716(614)1021h1416H311H212H3(H2328)
MFCD06013686
N(2(1ADAMANTYL)ETHYL)3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)124OXADIAZOLE5CARBOXAMIDE
ZINC000012372208
ZINC12372208
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