Vitas-M small molecule compound
methyl 4-chloro-2-({(Z)-[5-cyano-4-methyl-2,6-dioxo-1-(tetrahydrofuran-2-ylmethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK991722
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(CC2CCCO2)C(=O)C(=C1C)C#N)Cl
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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 C21H20ClN3O5 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O5/c1-12-16(9-23)19(26)25(11-14-4-3-7-30-14)20(27)17(12)10-24-18-8-13(22)5-6-15(18)21(28)29-2/h5-6,8,10,14,24H,3-4,7,11H2,1-2H3/b17-10-InChIKey
JGDGXFZWIUMQOH-YVLHZVERSA-NSynonyms
(Z)methyl4chloro2(((5cyano4methyl26dioxo1((tetrahydrofuran2yl)methyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)Cl)C(=O)OC)CC3CCCO3)C#N
COC(=O)c1ccc(cc1NC=C1C(=O)N(CC2CCCO2)C(=O)C(=C1C)C#N)Cl
InChI=1SC21H20ClN3O5c11216(923)19(26)25(11144373014)20(27)17(12)102418813(22)5615(18)21(28)292h568101424H34711H212H3b1710
methyl4chloro2(((Z)(5cyano4methyl26dioxo1(oxolan2ylmethyl)pyridin3ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(5cyano4methyl26dioxo1(tetrahydrofuran2ylmethyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
MFCD08749047
ZINC000013628783
ZINC000013628786
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Check stock on Vitas-MAvailable files
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