Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STK815813
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)NCCCn1cncc1
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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 C18H18N4O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3/c1-25-18(24)15-5-3-14(4-6-15)11-16(12-19)17(23)21-7-2-9-22-10-8-20-13-22/h3-6,8,10-11,13H,2,7,9H2,1H3,(H,21,23)/b16-11+InChIKey
NOUCZHUPGSWDKZ-LFIBNONCSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCCCN2C=CN=C2
InChI=1SC18H18N4O3c12518(24)155314(4615)1116(1219)17(23)2172922108201322h368101113H279H21H3(H2123)b1611+
methyl4((1E)2cyano3((3(1Himidazol1yl)propyl)amino)3oxoprop1en1yl)benzoate
METHYL4((E)2CYANO3(3IMIDAZOL1YLPROPYLAMINO)3OXOPROP1ENYL)BENZOATE
MFCD03516530
N#CC(=Cc1ccc(cc1)C(=O)OC)C(=O)NCCCn1cncc1
ZINC000016732827
ZINC16732827
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