Vitas-M small molecule compound
methyl 5-hydroxy-5-(4-nitrophenyl)-1-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Catalog ID
STK062587
SMILES COC(=O)C1=NN(C(C1)(O)c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1
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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 C18H15N3O6 MW 369.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6/c1-27-17(23)15-11-18(24,13-7-9-14(10-8-13)21(25)26)20(19-15)16(22)12-5-3-2-4-6-12/h2-10,24H,11H2,1H3InChIKey
KFCSXTUVLWSKMA-UHFFFAOYSA-NSynonyms
78051-40-81BENZOYL5HYDROXY5(4NITROPHENYL)45DIHYDRO1HPYRAZOLE3CARBOXYLICACIDMETHYLESTER
78051408
COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)(N+)(=O)(O))O)C(=O)C3=CC=CC=C3
COC(=O)C1=NN(C(C1)(O)c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1
InChI=1SC18H15N3O6c12717(23)151118(24137914(10813)21(25)26)20(1915)16(22)125324612h21024H11H21H3
METHYL1BENZOYL5HYDROXY5(4NITROPHENYL)45DIHYDRO1HPYRAZOLE3CARBOXYLATE
METHYL1BENZOYL5HYDROXY5(4NITROPHENYL)4HPYRAZOLE3CARBOXYLATE
METHYL5HYDROXY5(4NITROPHENYL)1(PHENYLCARBONYL)45DIHYDRO1HPYRAZOLE3CARBOXYLATE
MFCD00510721
STK062587
ZINC000000854837
ZINC000000854838
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.