Vitas-M small molecule compound

(5Z)-5-[4-(dimethylamino)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK573280
SMILES N#CC1=C(C)/C(=C/c2ccc(cc2)N(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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-13-17(10-14-4-6-15(7-5-14)22(2)3)19(24)23(20(25)18(13)11-21)16-8-9-28(26,27)12-16/h4-7,10,16H,8-9,12H2,1-3H3/b17-10-
InChIKey
JYGREINPOAVZJW-YVLHZVERSA-N
Synonyms
850192-44-8
(5Z)5((4(dimethylamino)phenyl)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(5Z)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)1(11DIOXOTHIOLAN3YL)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(5Z)5(4(dimethylamino)benzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(Z)5(4(dimethylamino)benzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
850192448
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3)C#N
InChI=1SC20H21N3O4Sc11317(10144615(7514)22(2)3)19(24)23(20(25)18(13)1121)168928(2627)1216h471016H8912H213H3b1710
MFCD05690766
N#CC1=C(C)C(=Cc2ccc(cc2)N(C)C)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000005487731
ZINC000013806819

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Available files

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