Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[(2-methoxy-5-nitrophenyl)amino]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719271
SMILES N#CC1=C(C)/C(=C/Nc2cc(ccc2OC)[N+](=O)[O-])/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 C19H18N4O7S MW 446.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O7S/c1-11-14(8-20)18(24)22(13-5-6-31(28,29)10-13)19(25)15(11)9-21-16-7-12(23(26)27)3-4-17(16)30-2/h3-4,7,9,13,21H,5-6,10H2,1-2H3/b15-9-InChIKey
CTOVHLTUGSVXAY-DHDCSXOGSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5(((2methoxy5nitrophenyl)amino)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)5((2methoxy5nitroanilino)methylidene)4methyl26dioxopyridine3carbonitrile
(Z)1(11dioxidotetrahydrothiophen3yl)5(((2methoxy5nitrophenyl)amino)methylene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)(N+)(=O)(O))OC)C3CCS(=O)(=O)C3)C#N
InChI=1SC19H18N4O7Sc11114(820)18(24)22(135631(2829)1013)19(25)15(11)92116712(23(26)27)3417(16)302h34791321H5610H212H3b159
MFCD09792575
N#CC1=C(C)C(=CNc2cc(ccc2OC)(N+)(=O)(O))C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008992607
ZINC000008992608
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