Vitas-M small molecule compound

ethyl 4-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate

Catalog ID
STK899231
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1cc(Cl)ccc1Cl)/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 C23H16Cl2N2O4 MW 455.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O4/c1-2-30-23(29)14-3-6-17(7-4-14)27-22(28)15(13-26)11-18-8-10-21(31-18)19-12-16(24)5-9-20(19)25/h3-12H,2H2,1H3,(H,27,28)/b15-11+
InChIKey
BYMGYMBJMOHLMO-RVDMUPIBSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1cc(Cl)ccc1Cl)C#N
ethyl4(((2E)2cyano3(5(25dichlorophenyl)furan2yl)prop2enoyl)amino)benzoate
ETHYL4(((E)2CYANO3(5(25DICHLOROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOATE
ETHYL4((2E)3(5(25DICHLOROPHENYL)(2FURYL))2CYANOPROP2ENOYLAMINO)BENZOATE
InChI=1SC23H16Cl2N2O4c123023(29)143617(7414)2722(28)15(1326)111881021(3118)191216(24)5920(19)25h312H2H21H3(H2728)b1511+
MFCD02956969
ZINC000001453309
ZINC01453309
ZINC1453309

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Available files

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