Vitas-M small molecule compound

(4E)-2-(3,4-dichlorophenyl)-4-[4-(diethylamino)-3-nitrobenzylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL171452
SMILES CCN(c1ccc(cc1[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C)CC

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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 C21H20Cl2N4O3 MW 447.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4O3/c1-4-25(5-2)19-9-6-14(11-20(19)27(29)30)10-16-13(3)24-26(21(16)28)15-7-8-17(22)18(23)12-15/h6-12H,4-5H2,1-3H3/b16-10+
InChIKey
LEVAFKURWQIKSD-MHWRWJLKSA-N
Synonyms
353781-52-9
(4E)2(34DICHLOROPHENYL)4((4(DIETHYLAMINO)3NITROPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4E)2(34dichlorophenyl)4(4(diethylamino)3nitrobenzylidene)5methyl24dihydro3Hpyrazol3one
2(34DICHLOROPHENYL)4(4(DIETHYLAMINO)3NITROBENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
353781529
CCN(c1ccc(cc1(N+)(=O)(O))C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C)CC
CCN(CC)C1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)(N+)(=O)(O)
InChI=1SC21H20Cl2N4O3c1425(52)199614(1120(19)27(29)30)101613(3)2426(21(16)28)157817(22)18(23)1215h612H45H213H3b1610+
MFCD01032214
ZINC000008384993
ZINC08384993
ZINC8384993

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Available files

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