Vitas-M small molecule compound
(4Z)-2-(3-chlorophenyl)-5-hydroxy-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL383271
SMILES Clc1cccc(c1)N1N=C(/C(=C/c2ccc(o2)c2cc(ccc2C)[N+](=O)[O-])/C1=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 C21H14ClN3O5 MW 423.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O5/c1-12-5-6-15(25(28)29)10-17(12)19-8-7-16(30-19)11-18-20(26)23-24(21(18)27)14-4-2-3-13(22)9-14/h2-11H,1H3,(H,23,26)/b18-11-InChIKey
PAXDEKGUCRYXFP-WQRHYEAKSA-NSynonyms
(4Z)1(3CHLOROPHENYL)4((5(2METHYL5NITROPHENYL)FURAN2YL)METHYLIDENE)PYRAZOLIDINE35DIONE
(4Z)2(3CHLOROPHENYL)5HYDROXY4((5(2METHYL5NITROPHENYL)FURAN2YL)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
Clc1cccc(c1)N1N=C(C(=Cc2ccc(o2)c2cc(ccc2C)(N+)(=O)(O))C1=O)O
MFCD28952764
ZINC000013897581
ZINC13897581
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