Vitas-M small molecule compound
(5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK582047
SMILES N#CC1=C(C)/C(=C\c2ccc(o2)c2cccc(c2)[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 C22H17N3O7S MW 467.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O7S/c1-13-18(10-17-5-6-20(32-17)14-3-2-4-15(9-14)25(28)29)21(26)24(22(27)19(13)11-23)16-7-8-33(30,31)12-16/h2-6,9-10,16H,7-8,12H2,1H3/b18-10+InChIKey
RSIHMJUJMRCZFD-VCHYOVAHSA-NSynonyms
850899-55-7(5E)1(11dioxidotetrahydrothiophen3yl)4methyl5((5(3nitrophenyl)furan2yl)methylidene)26dioxo1256tetrahydropyridine3carbonitrile
(5E)1(11DIOXOTHIOLAN3YL)4METHYL5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)26DIOXOPYRIDINE3CARBONITRILE
(E)1(11dioxidotetrahydrothiophen3yl)4methyl5((5(3nitrophenyl)furan2yl)methylene)26dioxo1256tetrahydropyridine3carbonitrile
850899557
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C4CCS(=O)(=O)C4)C#N
InChI=1SC22H17N3O7Sc11318(10175620(3217)1432415(914)25(28)29)21(26)24(22(27)19(13)1123)167833(3031)1216h2691016H7812H21H3b1810+
MFCD05695788
N#CC1=C(C)C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000100959014
ZINC000100959020
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