Vitas-M small molecule compound
(5Z)-5-{[(3-bromophenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719268
SMILES N#CC1=C(C)/C(=C/Nc2cccc(c2)Br)/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 C18H16BrN3O4S MW 450.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O4S/c1-11-15(8-20)17(23)22(14-5-6-27(25,26)10-14)18(24)16(11)9-21-13-4-2-3-12(19)7-13/h2-4,7,9,14,21H,5-6,10H2,1H3/b16-9-InChIKey
RCSWDUDTHSDNQB-SXGWCWSVSA-NSynonyms
(5Z)5(((3bromophenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3bromoanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((3bromophenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3)C#N
InChI=1SC18H16BrN3O4Sc11115(820)17(23)22(145627(2526)1014)18(24)16(11)9211342312(19)713h24791421H5610H21H3b169
MFCD09848191
N#CC1=C(C)C(=CNc2cccc(c2)Br)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008991813
ZINC000008991814
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