Vitas-M small molecule compound
(4Z)-4-(4,5-dimethoxy-2-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL430374
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)c(cc1OC)[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 C19H17N3O5 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5/c1-12-15(19(23)21(20-12)14-7-5-4-6-8-14)9-13-10-17(26-2)18(27-3)11-16(13)22(24)25/h4-11H,1-3H3/b15-9-InChIKey
JTQCURYQPCFEPC-DHDCSXOGSA-NSynonyms
(4Z)4((45DIMETHOXY2NITROPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(45dimethoxy2nitrobenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2(N+)(=O)(O))OC)OC)C3=CC=CC=C3
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)c(cc1OC)(N+)(=O)(O)
InChI=1SC19H17N3O5c11215(19(23)21(2012)147546814)9131017(262)18(273)1116(13)22(24)25h411H13H3b159
MFCD01032551
ZINC000016512519
ZINC16512519
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