Vitas-M small molecule compound
methyl 2-({(E)-[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate
Catalog ID
STK582351
SMILES COC(=O)c1ccccc1N/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2
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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 C26H22N2O4 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4/c1-16-12-13-18(14-17(16)2)28-24(29)20-9-5-4-8-19(20)22(25(28)30)15-27-23-11-7-6-10-21(23)26(31)32-3/h4-15,27H,1-3H3/b22-15+InChIKey
SUXONHSYXUQICC-PXLXIMEGSA-NSynonyms
(E)methyl2(((2(34dimethylphenyl)13dioxo23dihydroisoquinolin4(1H)ylidene)methyl)amino)benzoate
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC=CC=C4C(=O)OC)C2=O)C
COC(=O)c1ccccc1NC=C1C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2
InChI=1SC26H22N2O4c116121318(1417(16)2)2824(29)20954819(20)22(25(28)30)15272311761021(23)26(31)323h41527H13H3b2215+
methyl2(((E)(2(34dimethylphenyl)13dioxo23dihydroisoquinolin4(1H)ylidene)methyl)amino)benzoate
METHYL2(((E)(2(34DIMETHYLPHENYL)13DIOXOISOQUINOLIN4YLIDENE)METHYL)AMINO)BENZOATE
MFCD03965668
ZINC000013161832
ZINC13161832
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