Vitas-M small molecule compound

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

Catalog ID
STK821030
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/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 C32H27N3O9 MW 597.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O9/c1-3-42-31(38)21-5-11-23(12-6-21)33-29(36)27(30(37)34-24-13-7-22(8-14-24)32(39)43-4-2)19-26-17-18-28(44-26)20-9-15-25(16-10-20)35(40)41/h5-19H,3-4H2,1-2H3,(H,33,36)(H,34,37)
InChIKey
KPHXLKIEADCUNC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)NC4=CC=C(C=C4)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)C(=O)OCC
ethyl4((2((4(ethoxycarbonyl)phenyl)carbamoyl)3(5(4nitrophenyl)furan2yl)acryloyl)amino)benzoate
ethyl4((2((4ethoxycarbonylphenyl)carbamoyl)3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)benzoate
InChI=1SC32H27N3O9c134231(38)2151123(12621)3329(36)27(30(37)342413722(81424)32(39)4342)1926171828(4426)2091525(161020)35(40)41h519H34H212H3(H3336)(H3437)
MFCD03462553
ZINC000101329576
ZINC101329576

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Available files

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