Vitas-M small molecule compound
(5Z)-5-{[(3,5-dimethylphenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK991741
SMILES N#CC1=C(C)/C(=C/Nc2cc(C)cc(c2)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/c1-12-6-13(2)8-15(7-12)22-10-18-14(3)17(9-21)19(24)23(20(18)25)16-4-5-28(26,27)11-16/h6-8,10,16,22H,4-5,11H2,1-3H3/b18-10-InChIKey
KPBROJQQPAWKJT-ZDLGFXPLSA-NSynonyms
(5Z)5(((35dimethylphenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((35dimethylanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((35dimethylphenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=CC(=CC(=C1)NC=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C)C
InChI=1SC20H21N3O4Sc112613(2)815(712)22101814(3)17(921)19(24)23(20(18)25)164528(2627)1116h68101622H4511H213H3b1810
MFCD09846746
N#CC1=C(C)C(=CNc2cc(C)cc(c2)C)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009423450
ZINC000009423451
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