Vitas-M small molecule compound
1-[2-methyl-5-(3-nitrophenyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
Catalog ID
STK781292
SMILES CC(=O)N1N=C(OC1(C)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)[N+](=O)[O-]
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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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-13(25)23-20(2,21-10-14-6-15(11-21)8-16(7-14)12-21)28-19(22-23)17-4-3-5-18(9-17)24(26)27/h3-5,9,14-16H,6-8,10-12H2,1-2H3InChIKey
CFJIAXJBVRIBOT-UHFFFAOYSA-NSynonyms
1(2(1ADAMANTYL)2METHYL5(3NITROPHENYL)134OXADIAZOL3YL)ETHANONE
1(2methyl5(3nitrophenyl)2(tricyclo(3311~37~)dec1yl)134oxadiazol3(2H)yl)ethanone
CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)(N+)(=O)(O))(C)C34CC5CC(C3)CC(C5)C4
CC(=O)N1N=C(OC1(C)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H25N3O4c113(25)2320(2211014615(1121)816(714)1221)2819(2223)1743518(917)24(26)27h3591416H681012H212H3
MFCD06014815
ZINC000004721461
ZINC000004721462
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