Vitas-M small molecule compound
methyl 4-{(E)-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzoate
Catalog ID
STK700570
SMILES COC(=O)c1ccc(cc1)/C=C\1/C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[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 C24H17N3O5 MW 427.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O5/c1-32-24(29)18-9-7-16(8-10-18)15-21-22(17-5-3-2-4-6-17)25-26(23(21)28)19-11-13-20(14-12-19)27(30)31/h2-15H,1H3/b21-15+InChIKey
KVSGULIWADGJLQ-RCCKNPSSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
COC(=O)c1ccc(cc1)C=C1C(=O)N(N=C1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H17N3O5c13224(29)189716(81018)152122(175324617)2526(23(21)28)19111320(141219)27(30)31h215H1H3b2115+
methyl4((E)(1(4nitrophenyl)5oxo3phenyl15dihydro4Hpyrazol4ylidene)methyl)benzoate
methyl4((E)(1(4nitrophenyl)5oxo3phenylpyrazol4ylidene)methyl)benzoate
MFCD02307528
ZINC000036077450
ZINC36077450
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