Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514844
SMILES CCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)/C(=C(C1=O)C#N)C
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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 C32H25ClN4O3 MW 549.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25ClN4O3/c1-3-36-31(38)28(21(2)29(18-34)32(36)39)17-24-19-37(26-7-5-4-6-8-26)35-30(24)23-11-15-27(16-12-23)40-20-22-9-13-25(33)14-10-22/h4-17,19H,3,20H2,1-2H3/b28-17-InChIKey
OMKJVAPHWFIHBD-QRQIAZFYSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)1ethyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3(4((4chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)1ethyl4methyl26dioxopyridine3carbonitrile
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=C(C1=O)C#N)C
CCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC32H25ClN4O3c133631(38)28(21(2)29(1834)32(36)39)17241937(267546826)3530(24)23111527(161223)40202291325(33)141022h41719H320H212H3b2817
MFCD06645007
ZINC000097946775
ZINC97946775
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