Vitas-M small molecule compound
(5Z)-1-cyclopentyl-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908839
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(C2CCCC2)C(=O)C(=C1C)C#N)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 C30H28N4O3 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3/c1-3-37-25-15-13-21(14-16-25)28-22(19-33(32-28)23-9-5-4-6-10-23)17-26-20(2)27(18-31)30(36)34(29(26)35)24-11-7-8-12-24/h4-6,9-10,13-17,19,24H,3,7-8,11-12H2,1-2H3/b26-17-InChIKey
FLRBFUACXOLURJ-ONUIUJJFSA-NSynonyms
(5Z)1cyclopentyl5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1cyclopentyl5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridine3carbonitrile
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)C4CCCC4)C#N)C)C5=CC=CC=C5
CCOc1ccc(cc1)c1nn(cc1C=C1C(=O)N(C2CCCC2)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC30H28N4O3c133725151321(141625)2822(1933(3228)2395461023)172620(2)27(1831)30(36)34(29(26)35)2411781224h4691013171924H3781112H212H3b2617
MFCD06648127
ZINC000016806584
ZINC16806584
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