Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905313
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCc3c(C2)cccc3)/C1=O
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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 C27H28N4O2S2 MW 504.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S2/c1-3-4-7-13-30-26(33)22(35-27(30)34)15-21-24(28-23-11-10-18(2)16-31(23)25(21)32)29-14-12-19-8-5-6-9-20(19)17-29/h5-6,8-11,15-16H,3-4,7,12-14,17H2,1-2H3/b22-15-InChIKey
ODAYWURFQFWUNJ-JCMHNJIXSA-NSynonyms
850189-28-5(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)7methyl3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
850189285
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCC5=CC=CC=C5C4)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCc3c(C2)cccc3)C1=O
InChI=1SC27H28N4O2S2c1347133026(33)22(3527(30)34)152124(2823111018(2)1631(23)25(21)32)29141219856920(19)1729h568111516H347121417H212H3b2215
MFCD05690459
ZINC000002238388
ZINC2238388
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.