Vitas-M small molecule compound
methyl 4-chloro-2-{[(Z)-{5-cyano-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene}methyl]amino}benzoate
Catalog ID
STK624620
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(CCN2CCOCC2)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 C22H23ClN4O5 MW 458.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O5/c1-14-17(12-24)20(28)27(6-5-26-7-9-32-10-8-26)21(29)18(14)13-25-19-11-15(23)3-4-16(19)22(30)31-2/h3-4,11,13,25H,5-10H2,1-2H3/b18-13-InChIKey
QTRRVNUEBLJOPK-AQTBWJFISA-NSynonyms
(Z)methyl4chloro2(((5cyano4methyl1(2morpholinoethyl)26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)Cl)C(=O)OC)CCN3CCOCC3)C#N
COC(=O)c1ccc(cc1NC=C1C(=O)N(CCN2CCOCC2)C(=O)C(=C1C)C#N)Cl
InChI=1SC22H23ClN4O5c11417(1224)20(28)27(6526793210826)21(29)18(14)1325191115(23)3416(19)22(30)312h34111325H510H212H3b1813
methyl4chloro2(((Z)(5cyano4methyl1(2(morpholin4yl)ethyl)26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(5cyano4methyl1(2morpholin4ylethyl)26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD09845841
ZINC000009531470
ZINC09531470
ZINC9531470
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