Vitas-M small molecule compound
(5E)-4-methyl-1-(3-methylphenyl)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK516532
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C/1\C(=C(C#N)C(=O)N(C1=O)c1cccc(c1)C)C)c1ccccc1
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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 C34H28N4O3 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O3/c1-5-16-41-31-15-14-25(18-23(31)3)32-26(21-37(36-32)27-11-7-6-8-12-27)19-29-24(4)30(20-35)34(40)38(33(29)39)28-13-9-10-22(2)17-28/h5-15,17-19,21H,1,16H2,2-4H3/b29-19+InChIKey
BJSQUUDFZKDYJQ-VUTHCHCSSA-NSynonyms
(5E)4methyl1(3methylphenyl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)26dioxo1256tetrahydropyridine3carbonitrile
(5E)4methyl1(3methylphenyl)5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)26dioxopyridine3carbonitrile
C=CCOc1ccc(cc1C)c1nn(cc1C=C1C(=C(C#N)C(=O)N(C1=O)c1cccc(c1)C)C)c1ccccc1
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OCC=C)C)C5=CC=CC=C5)C(=C(C2=O)C#N)C
InChI=1SC34H28N4O3c15164131151425(1823(31)3)3226(2137(3632)27117681227)192924(4)30(2035)34(40)38(33(29)39)281391022(2)1728h515171921H116H224H3b2919+
MFCD06645703
ZINC000097946794
ZINC97946794
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