Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-{[(2-oxo-2H-chromen-6-yl)amino]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719289
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)ccc(=O)o3)/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 C21H17N3O6S MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O6S/c1-12-16(9-22)20(26)24(15-6-7-31(28,29)11-15)21(27)17(12)10-23-14-3-4-18-13(8-14)2-5-19(25)30-18/h2-5,8,10,15,23H,6-7,11H2,1H3/b17-10-InChIKey
YDCAABFYWZEKCY-YVLHZVERSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo5(((2oxo2Hchromen6yl)amino)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)4methyl26dioxo5(((2oxochromen6yl)amino)methylidene)pyridine3carbonitrile
(Z)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo5(((2oxo2Hchromen6yl)amino)methylene)1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)OC(=O)C=C3)C4CCS(=O)(=O)C4)C#N
InChI=1SC21H17N3O6Sc11216(922)20(26)24(156731(2829)1115)21(27)17(12)102314341813(814)2519(25)3018h258101523H6711H21H3b1710
MFCD09848568
N#CC1=C(C)C(=CNc2ccc3c(c2)ccc(=O)o3)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008993010
ZINC000008993011
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