Vitas-M small molecule compound

ethyl 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

Catalog ID
STK352203
SMILES CCOC(=O)c1onc(n1)Cn1nc(c(c1C)[N+](=O)[O-])C

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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 C11H13N5O5 MW 295.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N5O5/c1-4-20-11(17)10-12-8(14-21-10)5-15-7(3)9(16(18)19)6(2)13-15/h4-5H2,1-3H3
InChIKey
PWZDAYGBQUUNAN-UHFFFAOYSA-N
Synonyms
1170931-46-0
1170931460
CCOC(=O)C1=NC(=NO1)CN2C(=C(C(=N2)C)(N+)(=O)(O))C
CCOC(=O)c1onc(n1)Cn1nc(c(c1C)(N+)(=O)(O))C
ethyl3((35dimethyl4nitro1Hpyrazol1yl)methyl)124oxadiazole5carboxylate
ethyl3((35dimethyl4nitropyrazol1yl)methyl)124oxadiazole5carboxylate
ETHYL3((35DIMETHYL4NITROPYRAZOLYL)METHYL)124OXADIAZOLE5CARBOXYLATE
InChI=1SC11H13N5O5c142011(17)10128(142110)5157(3)9(16(18)19)6(2)1315h45H213H3
MFCD09701791
ZINC000012396883
ZINC12396883

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.