Vitas-M small molecule compound

(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-ethoxy-3-methoxybenzylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK572469
SMILES CCOc1ccc(cc1OC)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

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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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c1-4-29-18-6-5-14(10-19(18)28-3)9-16-13(2)17(11-22)21(25)23(20(16)24)15-7-8-30(26,27)12-15/h5-6,9-10,15H,4,7-8,12H2,1-3H3/b16-9-
InChIKey
NCDPGUDMAGMYMV-SXGWCWSVSA-N
Synonyms

(5Z)1(11dioxidotetrahydrothiophen3yl)5(4ethoxy3methoxybenzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11DIOXOTHIOLAN3YL)5((4ETHOXY3METHOXYPHENYL)METHYLIDENE)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(Z)1(11dioxidotetrahydrothiophen3yl)5(4ethoxy3methoxybenzylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CCOC1=C(C=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C)OC
CCOc1ccc(cc1OC)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
InChI=1SC21H22N2O6Sc1429186514(1019(18)283)91613(2)17(1122)21(25)23(20(16)24)157830(2627)1215h5691015H47812H213H3b169
MFCD05702546
ZINC000009345451
ZINC000009345452

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Available files

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