Vitas-M small molecule compound
methyl 2-chloro-5-{5-[(Z)-(5-cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK330984
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)OC)Cl)/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 C20H13ClN2O5 MW 396.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN2O5/c1-10-13(18(24)23-19(25)15(10)9-22)8-12-4-6-17(28-12)11-3-5-16(21)14(7-11)20(26)27-2/h3-8H,1-2H3,(H,23,24,25)/b13-8-InChIKey
MZPCPPAFHQKUBV-JYRVWZFOSA-NSynonyms
CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OC)C#N
InChI=1SC20H13ClN2O5c11013(18(24)2319(25)15(10)922)8124617(2812)113516(21)14(711)20(26)272h38H12H3(H232425)b138
METHYL2CHLORO5(5((5CYANO6HYDROXY4METHYL2OXO(3PYRIDYLIDENE))METHYL)(2FURYL))BENZOATE
methyl2chloro5(5((Z)(5cyano2hydroxy4methyl6oxopyridin3(6H)ylidene)methyl)furan2yl)benzoate
methyl2chloro5(5((Z)(5cyano4methyl26dioxopyridin3ylidene)methyl)furan2yl)benzoate
MFCD01788091
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)OC)Cl)C(=NC1=O)O
ZINC05876469
ZINC20064378
ZINC5876469
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