Vitas-M small molecule compound

(5Z)-5-{[(3,4-dimethoxyphenyl)amino]methylidene}-4-methyl-1-(3-methylbutyl)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK719206
SMILES N#CC1=C(C)/C(=C/Nc2ccc(c(c2)OC)OC)/C(=O)N(C1=O)CCC(C)C

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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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-13(2)8-9-24-20(25)16(11-22)14(3)17(21(24)26)12-23-15-6-7-18(27-4)19(10-15)28-5/h6-7,10,12-13,23H,8-9H2,1-5H3/b17-12-
InChIKey
QQXOHBQBPYEFGO-ATVHPVEESA-N
Synonyms

(5Z)5(((34dimethoxyphenyl)amino)methylidene)4methyl1(3methylbutyl)26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((34dimethoxyanilino)methylidene)4methyl1(3methylbutyl)26dioxopyridine3carbonitrile
(Z)5(((34dimethoxyphenyl)amino)methylene)1isopentyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC(=C(C=C2)OC)OC)CCC(C)C)C#N
InChI=1SC21H25N3O4c113(2)892420(25)16(1122)14(3)17(21(24)26)1223156718(274)19(1015)285h6710121323H89H215H3b1712
MFCD09846301
N#CC1=C(C)C(=CNc2ccc(c(c2)OC)OC)C(=O)N(C1=O)CCC(C)C
ZINC000009423161
ZINC09423161
ZINC9423161

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Available files

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