Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-({[2-(propan-2-yl)phenyl]amino}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719288
SMILES N#CC1=C(C)/C(=C/Nc2ccccc2C(C)C)/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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-13(2)16-6-4-5-7-19(16)23-11-18-14(3)17(10-22)20(25)24(21(18)26)15-8-9-29(27,28)12-15/h4-7,11,13,15,23H,8-9,12H2,1-3H3/b18-11-InChIKey
YPWHLNCUJKYATA-WQRHYEAKSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo5(((2(propan2yl)phenyl)amino)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)4methyl26dioxo5((2propan2ylanilino)methylidene)pyridine3carbonitrile
(Z)1(11dioxidotetrahydrothiophen3yl)5(((2isopropylphenyl)amino)methylene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2C(C)C)C3CCS(=O)(=O)C3)C#N
InChI=1SC21H23N3O4Sc113(2)16645719(16)23111814(3)17(1022)20(25)24(21(18)26)158929(2728)1215h4711131523H8912H213H3b1811
MFCD09796355
N#CC1=C(C)C(=CNc2ccccc2C(C)C)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009423893
ZINC000009423894
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