Vitas-M small molecule compound
2-chloro-5-{5-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Catalog ID
STK186076
SMILES CCOC(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/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 C17H12ClNO5 MW 345.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO5/c1-2-23-17(22)11(9-19)7-12-4-6-15(24-12)10-3-5-14(18)13(8-10)16(20)21/h3-8H,2H2,1H3,(H,20,21)/b11-7+InChIKey
GOPSQXHQLQNZJB-YRNVUSSQSA-NSynonyms
(E)2chloro5(5(2cyano3ethoxy3oxoprop1en1yl)furan2yl)benzoicacid
2CHLORO5(5((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
2CHLORO5(5((E)2CYANO3ETHOXY3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C#N
CCOC(=O)C(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)C#N
InChI=1SC17H12ClNO5c122317(22)11(919)7124615(2412)103514(18)13(810)16(20)21h38H2H21H3(H2021)b117+
MFCD01576207
ZINC000004723614
ZINC4723614
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