Vitas-M small molecule compound
4-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methoxybenzoate
Catalog ID
STK017374
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[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 C25H19N3O6 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O6/c1-16-23(24(29)27(26-16)19-7-9-20(10-8-19)28(31)32)15-17-3-11-22(12-4-17)34-25(30)18-5-13-21(33-2)14-6-18/h3-15H,1-2H3/b23-15+InChIKey
NCAUQWZFVSMEDR-HZHRSRAPSA-NSynonyms
(4((E)(3methyl1(4nitrophenyl)5oxopyrazol4ylidene)methyl)phenyl)4methoxybenzoate
4((E)(3METHYL1(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYL4METHOXYBENZOATE
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC25H19N3O6c11623(24(29)27(2616)197920(10819)28(31)32)151731122(12417)3425(30)1851321(332)14618h315H12H3b2315+
MFCD02648724
STK017374
ZINC000100099318
ZINC100099318
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