Vitas-M small molecule compound
butyl 2-chloro-5-{[(Z)-(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}benzoate
Catalog ID
STL171461
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=O)N(C)C(=O)C(=C2C)C#N)ccc1Cl
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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 C20H20ClN3O4 MW 401.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O4/c1-4-5-8-28-20(27)14-9-13(6-7-17(14)21)23-11-16-12(2)15(10-22)18(25)24(3)19(16)26/h6-7,9,11,23H,4-5,8H2,1-3H3/b16-11-InChIKey
FKYBKAPINBXIBQ-WJDWOHSUSA-NSynonyms
354996-00-2354996002
butyl2chloro5(((Z)(5cyano14dimethyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
BUTYL2CHLORO5(((Z)(5CYANO14DIMETHYL26DIOXOPYRIDIN3YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=C(C(=O)N(C2=O)C)C#N)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=O)N(C)C(=O)C(=C2C)C#N)ccc1Cl
InChI=1SC20H20ClN3O4c14582820(27)14913(6717(14)21)23111612(2)15(1022)18(25)24(3)19(16)26h6791123H458H213H3b1611
MFCD01178672
ZINC000006051153
ZINC06051153
ZINC6051153
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