Vitas-M small molecule compound
(5Z)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-4-methyl-1-(3-methylbutyl)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719178
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCO3)/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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-12(2)6-7-23-19(24)15(9-21)13(3)16(20(23)25)10-22-14-4-5-17-18(8-14)27-11-26-17/h4-5,8,10,12,22H,6-7,11H2,1-3H3/b16-10-InChIKey
JZYVWBVOSFHQCQ-YBEGLDIGSA-NSynonyms
(5Z)5((13benzodioxol5ylamino)methylidene)4methyl1(3methylbutyl)26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((13benzodioxol5ylamino)methylidene)4methyl1(3methylbutyl)26dioxopyridine3carbonitrile
(Z)5((benzo(d)(13)dioxol5ylamino)methylene)1isopentyl4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)OCO3)CCC(C)C)C#N
InChI=1SC20H21N3O4c112(2)672319(24)15(921)13(3)16(20(23)25)102214451718(814)27112617h458101222H6711H213H3b1610
MFCD09793809
N#CC1=C(C)C(=CNc2ccc3c(c2)OCO3)C(=O)N(C1=O)CCC(C)C
ZINC000009422438
ZINC09422438
ZINC9422438
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