Vitas-M small molecule compound
(4Z)-4-[(butylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK053484
SMILES CCCCN/C=C/1\C(=O)N(N=C1c1ccc(cc1)OC)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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-3-4-13-22-14-19-20(15-5-11-18(29-2)12-6-15)23-24(21(19)26)16-7-9-17(10-8-16)25(27)28/h5-12,14,22H,3-4,13H2,1-2H3/b19-14-InChIKey
SKJARAVYUWSATN-RGEXLXHISA-NSynonyms
(4Z)4((BUTYLAMINO)METHYLIDENE)5(4METHOXYPHENYL)2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4(BUTYLAMINOMETHYLIDENE)5(4METHOXYPHENYL)2(4NITROPHENYL)PYRAZOL3ONE
CCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC
CCCCNC=C1C(=O)N(N=C1c1ccc(cc1)OC)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H22N4O4c1341322141920(1551118(292)12615)2324(21(19)26)167917(10816)25(27)28h5121422H3413H212H3b1914
MFCD08051210
STK053484
ZINC000009434903
ZINC09434903
ZINC9434903
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