Vitas-M small molecule compound
methyl 2-({(1Z)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}amino)benzoate
Catalog ID
STK715971
SMILES COc1ccc(cc1)CNC(=O)/C(=C\Nc1ccccc1C(=O)OC)/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 C20H19N3O4 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-26-16-9-7-14(8-10-16)12-23-19(24)15(11-21)13-22-18-6-4-3-5-17(18)20(25)27-2/h3-10,13,22H,12H2,1-2H3,(H,23,24)/b15-13-InChIKey
UHIFLGHDCGHWII-SQFISAMPSA-NSynonyms
COC1=CC=C(C=C1)CNC(=O)C(=CNC2=CC=CC=C2C(=O)OC)C#N
COc1ccc(cc1)CNC(=O)C(=CNc1ccccc1C(=O)OC)C#N
InChI=1SC20H19N3O4c126169714(81016)122319(24)15(1121)132218643517(18)20(25)272h3101322H12H212H3(H2324)b1513
methyl2(((1Z)2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)amino)benzoate
methyl2(((Z)2cyano3((4methoxyphenyl)methylamino)3oxoprop1enyl)amino)benzoate
methyl2((2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)amino)benzoate
MFCD07797884
ZINC000101396097
ZINC101396097
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