Vitas-M small molecule compound
(5Z)-5-{[(3,4-dimethoxyphenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK625876
SMILES N#CC1=C(C)/C(=C/Nc2ccc(c(c2)OC)OC)/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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c1-12-15(9-21)19(24)23(14-6-7-30(26,27)11-14)20(25)16(12)10-22-13-4-5-17(28-2)18(8-13)29-3/h4-5,8,10,14,22H,6-7,11H2,1-3H3/b16-10-InChIKey
NCYSNJDUCSLGRN-YBEGLDIGSA-NSynonyms
(5Z)5(((34dimethoxyphenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((34dimethoxyanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((34dimethoxyphenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC(=C(C=C2)OC)OC)C3CCS(=O)(=O)C3)C#N
InChI=1SC20H21N3O6Sc11215(921)19(24)23(146730(2627)1114)20(25)16(12)1022134517(282)18(813)293h458101422H6711H213H3b1610
MFCD09845028
N#CC1=C(C)C(=CNc2ccc(c(c2)OC)OC)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009422329
ZINC000009422330
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