Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STL200968
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C)/c1nc2c(s1)cccc2
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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 C25H23N5OS MW 441.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5OS/c1-16-9-12-29(13-10-16)23-19(25(31)30-11-5-6-17(2)22(30)28-23)14-18(15-26)24-27-20-7-3-4-8-21(20)32-24/h3-8,11,14,16H,9-10,12-13H2,1-2H3/b18-14+InChIKey
AJHMKUJCFBEHCI-NBVRZTHBSA-NSynonyms
796877-01-5(2E)2(13benzothiazol2yl)3(9methyl2(4methylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(9METHYL2(4METHYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(9methyl2(4methylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
796877015
CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C4=NC5=CC=CC=C5S4
InChI=1SC25H23N5OSc11691229(131016)2319(25(31)30115617(2)22(30)2823)1418(1526)242720734821(20)3224h38111416H9101213H212H3b1814+
MFCD03669030
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C)c1nc2c(s1)cccc2
ZINC000013648082
ZINC13648082
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