Vitas-M small molecule compound
2-chloro-4-{5-[(Z)-(5-cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK677168
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C(=NC1=O)O
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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 C19H11ClN2O5 MW 382.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11ClN2O5/c1-9-13(17(23)22-18(24)14(9)8-21)7-11-3-5-16(27-11)10-2-4-12(19(25)26)15(20)6-10/h2-7H,1H3,(H,25,26)(H,22,23,24)/b13-7-InChIKey
DEJOTVJEPMERDG-QPEQYQDCSA-NSynonyms
2chloro4(5((Z)(5cyano2hydroxy4methyl6oxopyridin3(6H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((Z)(5CYANO4METHYL26DIOXOPYRIDIN3YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C#N
InChI=1SC19H11ClN2O5c1913(17(23)2218(24)14(9)821)7113516(2711)102412(19(25)26)15(20)610h27H1H3(H2526)(H222324)b137
MFCD02642881
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C(=NC1=O)O
ZINC000004558075
ZINC4558075
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