Vitas-M small molecule compound
1-[2,2-dimethyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
Catalog ID
STK183088
SMILES CC(=O)N1N=C(OC1(C)C)c1ccc(cc1)[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 C12H13N3O4 MW 263.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O4/c1-8(16)14-12(2,3)19-11(13-14)9-4-6-10(7-5-9)15(17)18/h4-7H,1-3H3InChIKey
CWBTUNKLPXOVOV-UHFFFAOYSA-NSynonyms
1(22DIMETHYL5(4NITROPHENYL)134OXADIAZOL3(2H)YL)ETHANONE
1(22DIMETHYL5(4NITROPHENYL)134OXADIAZOL3YL)ETHANONE
3ACETYL22DIMETHYL5(4NITROPHENYL)134OXADIAZOLINE
CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)(N+)(=O)(O))(C)C
CC(=O)N1N=C(OC1(C)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC12H13N3O4c18(16)1412(23)1911(1314)94610(759)15(17)18h47H13H3
MFCD00487289
ZINC000003176918
ZINC03176918
ZINC3176918
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