Vitas-M small molecule compound
(5Z)-5-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK991738
SMILES N#CC1=C(C)/C(=C/Nc2ccc(c(c2)Cl)OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C19H18ClN3O5S MW 435.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5S/c1-11-14(8-21)18(24)23(13-5-6-29(26,27)10-13)19(25)15(11)9-22-12-3-4-17(28-2)16(20)7-12/h3-4,7,9,13,22H,5-6,10H2,1-2H3/b15-9-InChIKey
IHJJJQDEPJRDBI-DHDCSXOGSA-NSynonyms
(5Z)5(((3chloro4methoxyphenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3chloro4methoxyanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((3chloro4methoxyphenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC(=C(C=C2)OC)Cl)C3CCS(=O)(=O)C3)C#N
InChI=1SC19H18ClN3O5Sc11114(821)18(24)23(135629(2627)1013)19(25)15(11)922123417(282)16(20)712h34791322H5610H212H3b159
MFCD09847637
N#CC1=C(C)C(=CNc2ccc(c(c2)Cl)OC)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008990393
ZINC000013656467
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