Vitas-M small molecule compound
ethyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate
Catalog ID
STL414554
SMILES CCOC(=O)c1cc(nn1C(C)C)[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 C9H13N3O4 MW 227.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13N3O4/c1-4-16-9(13)7-5-8(12(14)15)10-11(7)6(2)3/h5-6H,4H2,1-3H3InChIKey
RDHJKLXWZBJJNM-UHFFFAOYSA-NSynonyms
1245772-15-91245772159
CCOC(=O)C1=CC(=NN1C(C)C)(N+)(=O)(O)
CCOC(=O)c1cc(nn1C(C)C)(N+)(=O)(O)
ETHYL1(METHYLETHYL)3NITROPYRAZOLE5CARBOXYLATE
ethyl3nitro1(propan2yl)1Hpyrazole5carboxylate
ethyl5nitro2propan2ylpyrazole3carboxylate
InChI=1SC9H13N3O4c14169(13)758(12(14)15)1011(7)6(2)3h56H4H213H3
MFCD09701561
ZINC000072334137
ZINC72334137
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