Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514860
SMILES CCCCCN1C(=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 C35H32N4O3 MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N4O3/c1-3-4-11-20-38-34(40)31(25(2)32(22-36)35(38)41)21-28-23-39(29-14-9-6-10-15-29)37-33(28)27-16-18-30(19-17-27)42-24-26-12-7-5-8-13-26/h5-10,12-19,21,23H,3-4,11,20,24H2,1-2H3/b31-21-InChIKey
AYRZONYWERQOEZ-YQYKVWLJSA-NSynonyms
(5Z)4methyl26dioxo1pentyl5((1phenyl3(4phenylmethoxyphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1pentyl1256tetrahydropyridine3carbonitrile
CCCCCN1C(=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
CCCCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC35H32N4O3c13411203834(40)31(25(2)32(2236)35(38)41)21282339(291496101529)3733(28)27161830(191727)422426127581326h51012192123H34112024H212H3b3121
MFCD06645023
ZINC000097946777
ZINC97946777
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