Vitas-M small molecule compound
(5Z)-5-(3,4-diethoxybenzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK592739
SMILES CCOc1cc(ccc1OCC)/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 C22H24N2O6S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6S/c1-4-29-19-7-6-15(11-20(19)30-5-2)10-17-14(3)18(12-23)22(26)24(21(17)25)16-8-9-31(27,28)13-16/h6-7,10-11,16H,4-5,8-9,13H2,1-3H3/b17-10-InChIKey
BQFJKAAJTOIGDY-YVLHZVERSA-NSynonyms
(5Z)5((34DIETHOXYPHENYL)METHYLIDENE)1(11DIOXOTHIOLAN3YL)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(5Z)5(34diethoxybenzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(Z)5(34diethoxybenzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCOC1=C(C=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
InChI=1SC22H24N2O6Sc1429197615(1120(19)3052)101714(3)18(1223)22(26)24(21(17)25)168931(2728)1316h67101116H458913H213H3b1710
MFCD05690594
ZINC000002238736
ZINC000013806701
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