Vitas-M small molecule compound
(4Z)-5-methyl-2-(naphthalen-2-yl)-4-(5-nitro-2-propoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK980156
SMILES CCCOc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccc2c(c1)cccc2)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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-3-12-31-23-11-10-21(27(29)30)14-19(23)15-22-16(2)25-26(24(22)28)20-9-8-17-6-4-5-7-18(17)13-20/h4-11,13-15H,3,12H2,1-2H3/b22-15-InChIKey
XUQIFJABJLNQPT-JCMHNJIXSA-NSynonyms
(4Z)5methyl2(naphthalen2yl)4(5nitro2propoxybenzylidene)24dihydro3Hpyrazol3one
(4Z)5METHYL2NAPHTHALEN2YL4((5NITRO2PROPOXYPHENYL)METHYLIDENE)PYRAZOL3ONE
CCCOC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=NN(C2=O)C3=CC4=CC=CC=C4C=C3)C
CCCOc1ccc(cc1C=C1C(=NN(C1=O)c1ccc2c(c1)cccc2)C)(N+)(=O)(O)
InChI=1SC24H21N3O4c13123123111021(27(29)30)1419(23)152216(2)2526(24(22)28)209817645718(17)1320h4111315H312H212H3b2215
MFCD03710082
ZINC000004845426
ZINC04845426
ZINC4845426
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