Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514862
SMILES CCCCCN1C(=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 C35H31ClN4O3 MW 591.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31ClN4O3/c1-3-4-8-19-39-34(41)31(24(2)32(21-37)35(39)42)20-27-22-40(29-9-6-5-7-10-29)38-33(27)26-13-17-30(18-14-26)43-23-25-11-15-28(36)16-12-25/h5-7,9-18,20,22H,3-4,8,19,23H2,1-2H3/b31-20-InChIKey
XRWYTTCNNSNWFN-GTWSWNCMSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1pentyl1256tetrahydropyridine3carbonitrile
(5Z)5((3(4((4chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxo1pentylpyridine3carbonitrile
CCCCCN1C(=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
CCCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC35H31ClN4O3c1348193934(41)31(24(2)32(2137)35(39)42)20272240(2996571029)3833(27)26131730(181426)432325111528(36)161225h579182022H3481923H212H3b3120
MFCD06645025
ZINC000097946778
ZINC97946778
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