Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK574267
SMILES C=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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-3-9-28-17-6-4-15(5-7-17)11-18-14(2)19(12-22)21(25)23(20(18)24)16-8-10-29(26,27)13-16/h3-7,11,16H,1,8-10,13H2,2H3/b18-11-InChIKey
UTOMPKXJHBFMHE-WQRHYEAKSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo5(4(prop2en1yloxy)benzylidene)1256tetrahydropyridine3carbonitrile
(5Z)1(11DIOXOTHIOLAN3YL)4METHYL26DIOXO5((4PROP2ENOXYPHENYL)METHYLIDENE)PYRIDINE3CARBONITRILE
(Z)5(4(allyloxy)benzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
C=CCOc1ccc(cc1)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(C=C2)OCC=C)C3CCS(=O)(=O)C3)C#N
InChI=1SC21H20N2O5Sc13928176415(5717)111814(2)19(1222)21(25)23(20(18)24)1681029(2627)1316h371116H181013H22H3b1811
MFCD05689306
ZINC000013806159
ZINC000013806162
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