Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1-(tetrahydrofuran-2-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908816
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(CC2CCCO2)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 C30H28N4O4 MW 508.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O4/c1-3-37-24-13-11-21(12-14-24)28-22(18-34(32-28)23-8-5-4-6-9-23)16-26-20(2)27(17-31)30(36)33(29(26)35)19-25-10-7-15-38-25/h4-6,8-9,11-14,16,18,25H,3,7,10,15,19H2,1-2H3/b26-16-InChIKey
AEBYHNWLXFKROV-QQXSKIMKSA-NSynonyms
(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1(tetrahydrofuran2ylmethyl)1256tetrahydropyridine3carbonitrile
(5Z)5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxo1(oxolan2ylmethyl)pyridine3carbonitrile
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CC4CCCO4)C#N)C)C5=CC=CC=C5
CCOc1ccc(cc1)c1nn(cc1C=C1C(=O)N(CC2CCCO2)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC30H28N4O4c133724131121(121424)2822(1834(3228)238546923)162620(2)27(1731)30(36)33(29(26)35)1925107153825h46891114161825H37101519H212H3b2616
MFCD06648104
ZINC000016806560
ZINC000016806562
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