Vitas-M small molecule compound
(4Z)-5-methyl-4-(5-nitro-2-propoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK980215
SMILES CCCOc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)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 C20H19N3O4 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-3-11-27-19-10-9-17(23(25)26)12-15(19)13-18-14(2)21-22(20(18)24)16-7-5-4-6-8-16/h4-10,12-13H,3,11H2,1-2H3/b18-13-InChIKey
ZMBDGJJTDOYDOB-AQTBWJFISA-NSynonyms
(4Z)5METHYL4((5NITRO2PROPOXYPHENYL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(4Z)5methyl4(5nitro2propoxybenzylidene)2phenyl24dihydro3Hpyrazol3one
CCCOC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCOc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)(N+)(=O)(O)
InChI=1SC20H19N3O4c1311271910917(23(25)26)1215(19)131814(2)2122(20(18)24)167546816h4101213H311H212H3b1813
MFCD03718853
ZINC000004913517
ZINC04913517
ZINC4913517
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