Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514838
SMILES CCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C32H26N4O3 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O3/c1-3-35-31(37)28(22(2)29(19-33)32(35)38)18-25-20-36(26-12-8-5-9-13-26)34-30(25)24-14-16-27(17-15-24)39-21-23-10-6-4-7-11-23/h4-18,20H,3,21H2,1-2H3/b28-18-InChIKey
HHYOGJZGUFSZLO-VEILYXNESA-NSynonyms
(5Z)1ethyl4methyl26dioxo5((1phenyl3(4phenylmethoxyphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)1ethyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=C(C1=O)C#N)C
CCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC32H26N4O3c133531(37)28(22(2)29(1933)32(35)38)18252036(26128591326)3430(25)24141627(171524)392123106471123h41820H321H212H3b2818
MFCD06645001
ZINC000016741515
ZINC16741515
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