Vitas-M small molecule compound

4-(5-{(1E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid

Catalog ID
STK180945
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)O)/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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c1-2-29-19-9-7-18(8-10-19)25-22(26)17(14-24)13-20-11-12-21(30-20)15-3-5-16(6-4-15)23(27)28/h3-13H,2H2,1H3,(H,25,26)(H,27,28)/b17-13+
InChIKey
AVXNBAYOVPECSG-GHRIWEEISA-N
Synonyms

4(5((1E)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
4(5((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)C#N
InChI=1SC23H18N2O5c1229199718(81019)2522(26)17(1424)1320111221(3020)153516(6415)23(27)28h313H2H21H3(H2526)(H2728)b1713+
MFCD06325346
ZINC000004705352
ZINC4705352

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Available files

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