Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK707210
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/C1=O)C
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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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-4-17(3)30-25(32)21(34-26(30)33)14-20-23(27-22-16(2)8-7-12-29(22)24(20)31)28-13-11-18-9-5-6-10-19(18)15-28/h5-10,12,14,17H,4,11,13,15H2,1-3H3/b21-14-InChIKey
CPFDKPKKXBMADA-STZFKDTASA-NSynonyms
578734-19-7(5Z)3BUTAN2YL5((2(34DIHYDRO1HISOQUINOLIN2YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2(34dihydroisoquinolin2(1H)yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(34dihydroisoquinolin2(1H)yl)9methyl4Hpyrido(12a)pyrimidin4one
578734197
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC5=CC=CC=C5C4)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)C1=O)C
InChI=1SC26H26N4O2S2c1417(3)3025(32)21(3426(30)33)142023(272216(2)871229(22)24(20)31)281311189561019(18)1528h510121417H4111315H213H3b2114
MFCD04031610
ZINC000009190860
ZINC000009190862
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.