Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-ethoxybenzylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK580220
SMILES CCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
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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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-3-27-16-6-4-14(5-7-16)10-17-13(2)18(11-21)20(24)22(19(17)23)15-8-9-28(25,26)12-15/h4-7,10,15H,3,8-9,12H2,1-2H3/b17-10-InChIKey
YYEXHZKHLAQOOF-YVLHZVERSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5(4ethoxybenzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11DIOXOTHIOLAN3YL)5((4ETHOXYPHENYL)METHYLIDENE)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(Z)1(11dioxidotetrahydrothiophen3yl)5(4ethoxybenzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCOC1=CC=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C
CCOc1ccc(cc1)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
InChI=1SC20H20N2O5Sc1327166414(5716)101713(2)18(1121)20(24)22(19(17)23)158928(2526)1215h471015H38912H212H3b1710
MFCD05704688
ZINC000005576188
ZINC000005576192
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