Vitas-M small molecule compound
(5Z)-2-hydroxy-4-methyl-6-oxo-5-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-5,6-dihydropyridine-3-carbonitrile
Catalog ID
STK125063
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc3c(c2)C(=O)OC3)/C(=O)N=C1O
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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 C20H12N2O5 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O5/c1-10-14(18(23)22-19(24)16(10)8-21)7-13-4-5-17(27-13)11-2-3-12-9-26-20(25)15(12)6-11/h2-7H,9H2,1H3,(H,22,23,24)/b14-7-InChIKey
IWHPPQYMFCEFIH-AUWJEWJLSA-NSynonyms
(5Z)2HYDROXY4METHYL6OXO5((5(3OXO13DIHYDRO2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)56DIHYDROPYRIDINE3CARBONITRILE
(5Z)4METHYL26DIOXO5((5(3OXO1H2BENZOFURAN5YL)FURAN2YL)METHYLIDENE)PYRIDINE3CARBONITRILE
CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=CC4=C(COC4=O)C=C3)C#N
InChI=1SC20H12N2O5c11014(18(23)2219(24)16(10)821)7134517(2713)11231292620(25)15(12)611h27H9H21H3(H222324)b147
MFCD06124780
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc3c(c2)C(=O)OC3)C(=O)N=C1O
ZINC000012630565
ZINC12630565
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