Vitas-M small molecule compound

1-[2,2-dimethyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone

Catalog ID
STK151317
SMILES CC(=O)N1N=C(OC1(C)C)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 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)9-5-4-6-10(7-9)15(17)18/h4-7H,1-3H3
InChIKey
LZEQTOVZYQWNCU-UHFFFAOYSA-N
Synonyms
382177-89-1
1(22DIMETHYL5(3NITROPHENYL)134OXADIAZOL3(2H)YL)ETHANONE
1(22DIMETHYL5(3NITROPHENYL)134OXADIAZOL3YL)ETHANONE
382177891
3ACETYL22DIMETHYL5(3NITROPHENYL)134OXADIAZOLINE
3ACETYL22DIMETHYL5(3NITROPHENYL)23DIHYDRO134OXADIAZOLE
CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)(N+)(=O)(O))(C)C
CC(=O)N1N=C(OC1(C)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC12H13N3O4c18(16)1412(23)1911(1314)954610(79)15(17)18h47H13H3
MFCD00760243
ZINC000000198876
ZINC00198876
ZINC198876

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Available files

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