Vitas-M small molecule compound
3-{5-[(Z)-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK120637
SMILES CCN1C(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(=O)O)/C(=C(C1=O)C#N)C
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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 C21H16N2O5 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O5/c1-3-23-19(24)16(12(2)17(11-22)20(23)25)10-15-7-8-18(28-15)13-5-4-6-14(9-13)21(26)27/h4-10H,3H2,1-2H3,(H,26,27)/b16-10-InChIKey
ZLNLGABXXSZYLQ-YBEGLDIGSA-NSynonyms
3(5((Z)(5CYANO1ETHYL4METHYL26DIOXO16DIHYDROPYRIDIN3(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(5CYANO1ETHYL4METHYL26DIOXOPYRIDIN3YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=C(C1=O)C#N)C
CCN1C(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C(=C(C1=O)C#N)C
InChI=1SC21H16N2O5c132319(24)16(12(2)17(1122)20(23)25)10157818(2815)1354614(913)21(26)27h410H3H212H3(H2627)b1610
MFCD03929046
ZINC000004691623
ZINC4691623
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