Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[(4-fluorophenyl)amino]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719221
SMILES N#CC1=C(C)/C(=C/Nc2ccc(cc2)F)/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 C18H16FN3O4S MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN3O4S/c1-11-15(8-20)17(23)22(14-6-7-27(25,26)10-14)18(24)16(11)9-21-13-4-2-12(19)3-5-13/h2-5,9,14,21H,6-7,10H2,1H3/b16-9-InChIKey
RBUXFXXUUYAQSN-SXGWCWSVSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5(((4fluorophenyl)amino)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)5((4fluoroanilino)methylidene)4methyl26dioxopyridine3carbonitrile
(Z)1(11dioxidotetrahydrothiophen3yl)5(((4fluorophenyl)amino)methylene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)C#N
InChI=1SC18H16FN3O4Sc11115(820)17(23)22(146727(2526)1014)18(24)16(11)921134212(19)3513h2591421H6710H21H3b169
MFCD09790621
N#CC1=C(C)C(=CNc2ccc(cc2)F)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009049786
ZINC000009049790
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