Vitas-M small molecule compound
(4E)-4-[2-(4-methoxyphenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK072366
SMILES COc1ccc(cc1)N/N=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 C22H17N5O4 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4/c1-31-19-13-7-16(8-14-19)23-24-21-20(15-5-3-2-4-6-15)25-26(22(21)28)17-9-11-18(12-10-17)27(29)30/h2-14,23H,1H3/b24-21+InChIKey
WZIRURYQKSQBNF-DARPEHSRSA-NSynonyms
(4E)4((4METHOXYPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4E)4(2(4METHOXYPHENYL)HYDRAZINYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
COC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
COc1ccc(cc1)NN=C1C(=O)N(N=C1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H17N5O4c1311913716(81419)23242120(155324615)2526(22(21)28)1791118(121017)27(29)30h21423H1H3b2421+
MFCD01418814
STK072366
ZINC000095215284
ZINC06924767
ZINC6924767
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