Vitas-M small molecule compound
ethyl 5-tert-butyl-5-hydroxy-1-[(3-nitrophenyl)carbonyl]-4,5-dihydro-1H-pyrazole-3-carboxylate
Catalog ID
STK877283
SMILES CCOC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)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 C17H21N3O6 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O6/c1-5-26-15(22)13-10-17(23,16(2,3)4)19(18-13)14(21)11-7-6-8-12(9-11)20(24)25/h6-9,23H,5,10H2,1-4H3InChIKey
NVGKDOGFYAEOJF-UHFFFAOYSA-NSynonyms
5657-57-85657578
CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)c1cccc(c1)(N+)(=O)(O)
ethyl5(tertbutyl)5hydroxy1(3nitrobenzoyl)45dihydro1Hpyrazole3carboxylate
ethyl5tertbutyl5hydroxy1((3nitrophenyl)carbonyl)45dihydro1Hpyrazole3carboxylate
ETHYL5TERTBUTYL5HYDROXY1(3NITROBENZOYL)4HPYRAZOLE3CARBOXYLATE
InChI=1SC17H21N3O6c152615(22)131017(2316(23)4)19(1813)14(21)1176812(911)20(24)25h6923H510H214H3
MFCD01470505
ZINC000001194936
ZINC000001194937
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