Vitas-M small molecule compound
3-chloro-4-{5-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]furan-2-yl}benzoic acid
Catalog ID
STL405808
SMILES N#C/C(=C/c1ccc(o1)c1ccc(cc1Cl)C(=O)O)/C(=O)Nc1ccccc1
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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 C21H13ClN2O4 MW 392.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O4/c22-18-11-13(21(26)27)6-8-17(18)19-9-7-16(28-19)10-14(12-23)20(25)24-15-4-2-1-3-5-15/h1-11H,(H,24,25)(H,26,27)/b14-10-InChIKey
VVEXSNNZYLGXSC-UVTDQMKNSA-NSynonyms
3chloro4(5((1Z)2cyano3oxo3(phenylamino)prop1en1yl)furan2yl)benzoicacid
4(5((Z)3anilino2cyano3oxoprop1enyl)furan2yl)3chlorobenzoicacid
C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C(=O)O)Cl)C#N
InChI=1SC21H13ClN2O4c22181113(21(26)27)6817(18)199716(2819)1014(1223)20(25)24154213515h111H(H2425)(H2627)b1410
MFCD28951178
N#CC(=Cc1ccc(o1)c1ccc(cc1Cl)C(=O)O)C(=O)Nc1ccccc1
ZINC000033337345
ZINC33337345
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