Vitas-M small molecule compound

ethyl 4-[(3-[5-(4-chlorophenyl)furan-2-yl]-2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}acryloyl)amino]benzoate

Catalog ID
STK701666
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)Cl)/C(=O)Nc1ccc(cc1)C(=O)OCC

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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 C32H27ClN2O7 MW 587.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN2O7/c1-3-40-31(38)21-7-13-24(14-8-21)34-29(36)27(19-26-17-18-28(42-26)20-5-11-23(33)12-6-20)30(37)35-25-15-9-22(10-16-25)32(39)41-4-2/h5-19H,3-4H2,1-2H3,(H,34,36)(H,35,37)
InChIKey
YMCGRVYGVPJBQX-UHFFFAOYSA-N
Synonyms
373613-93-5
373613935
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)C(=O)OCC
diethyl44((2((5(4chlorophenyl)furan2yl)methylene)malonyl)bis(azanediyl))dibenzoate
ethyl4((3(5(4chlorophenyl)furan2yl)2((4(ethoxycarbonyl)phenyl)carbamoyl)acryloyl)amino)benzoate
ETHYL4((3(5(4CHLOROPHENYL)FURAN2YL)2((4ETHOXYCARBONYLPHENYL)CARBAMOYL)PROP2ENOYL)AMINO)BENZOATE
InChI=1SC32H27ClN2O7c134031(38)2171324(14821)3429(36)27(1926171828(4226)2051123(33)12620)30(37)352515922(101625)32(39)4142h519H34H212H3(H3436)(H3537)
MFCD01948224
ZINC000098000205
ZINC98000205

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Available files

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