Vitas-M small molecule compound

ethyl (5E)-5-({5-[({[(3,4-dimethylphenyl)amino](oxo)acetyl}amino)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160902
SMILES CCOC(=O)C1=C(C)N/C(=C/c2ccc(o2)CNC(=O)C(=O)Nc2ccc(c(c2)C)C)/C1=O

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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 C24H25N3O6 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O6/c1-5-32-24(31)20-15(4)26-19(21(20)28)11-17-8-9-18(33-17)12-25-22(29)23(30)27-16-7-6-13(2)14(3)10-16/h6-11,26H,5,12H2,1-4H3,(H,25,29)(H,27,30)/b19-11+
InChIKey
GXCLJAPLYGHLCK-YBFXNURJSA-N
Synonyms

CCOC(=O)C1=C(C)NC(=Cc2ccc(o2)CNC(=O)C(=O)Nc2ccc(c(c2)C)C)C1=O
CCOC(=O)C1=C(NC(=CC2=CC=C(O2)CNC(=O)C(=O)NC3=CC(=C(C=C3)C)C)C1=O)C
ETHYL(5E)5((5(((((34DIMETHYLPHENYL)AMINO)(OXO)ACETYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ethyl(5E)5((5(((2(34dimethylanilino)2oxoacetyl)amino)methyl)furan2yl)methylidene)2methyl4oxo1Hpyrrole3carboxylate
ETHYL5((5((((34DIMETHYLANILINO)(OXO)ACETYL)AMINO)METHYL)2FURYL)METHYLENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC24H25N3O6c153224(31)2015(4)2619(21(20)28)11178918(3317)122522(29)23(30)27167613(2)14(3)1016h61126H512H214H3(H2529)(H2730)b1911+
MFCD02920102
ZINC000095394142
ZINC95394142

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.