Vitas-M small molecule compound
(5Z)-4-methyl-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,6-dioxo-1-(tetrahydrofuran-2-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908815
SMILES N#CC1=C(C)/C(=C/c2cn(nc2c2ccc(cc2)C)c2ccccc2)/C(=O)N(C1=O)CC1CCCO1
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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 C29H26N4O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3/c1-19-10-12-21(13-11-19)27-22(17-33(31-27)23-7-4-3-5-8-23)15-25-20(2)26(16-30)29(35)32(28(25)34)18-24-9-6-14-36-24/h3-5,7-8,10-13,15,17,24H,6,9,14,18H2,1-2H3/b25-15-InChIKey
JMNKGIBSKIYPJF-MYYYXRDXSA-NSynonyms
(5Z)4methyl5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)26dioxo1(tetrahydrofuran2ylmethyl)1256tetrahydropyridine3carbonitrile
(5Z)4methyl5((3(4methylphenyl)1phenylpyrazol4yl)methylidene)26dioxo1(oxolan2ylmethyl)pyridine3carbonitrile
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CC4CCCO4)C#N)C)C5=CC=CC=C5
InChI=1SC29H26N4O3c119101221(131119)2722(1733(3127)237435823)152520(2)26(1630)29(35)32(28(25)34)182496143624h35781013151724H691418H212H3b2515
MFCD06648103
N#CC1=C(C)C(=Cc2cn(nc2c2ccc(cc2)C)c2ccccc2)C(=O)N(C1=O)CC1CCCO1
ZINC000016753051
ZINC000016753054
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