Vitas-M small molecule compound

3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK813844
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CC(C)CC(C2)C)/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 C24H30N4O2S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O2S2/c1-5-6-9-28-23(30)19(32-24(28)31)12-18-21(26-13-15(2)11-16(3)14-26)25-20-17(4)8-7-10-27(20)22(18)29/h7-8,10,12,15-16H,5-6,9,11,13-14H2,1-4H3/b19-12-
InChIKey
SHKUEBLCGJTJTK-UNOMPAQXSA-N
Synonyms
618073-22-6
(5Z)3BUTYL5((2(35DIMETHYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)3butyl5((2(35dimethylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(35dimethylpiperidin1yl)9methyl4Hpyrido(12a)pyrimidin4one
618073226
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CC(CC(C4)C)C)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CC(C)CC(C2)C)C1=O
InChI=1SC24H30N4O2S2c15692823(30)19(3224(28)31)121821(261315(2)1116(3)1426)252017(4)871027(20)22(18)29h7810121516H569111314H214H3b1912
MFCD04441793
ZINC000026458709
ZINC000026458715

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.