Vitas-M small molecule compound

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

Catalog ID
STK810552
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCCC(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/c1-3-4-5-7-14-28-23(30)19(32-24(28)31)15-18-21(26-12-9-10-17(2)16-26)25-20-11-6-8-13-27(20)22(18)29/h6,8,11,13,15,17H,3-5,7,9-10,12,14,16H2,1-2H3/b19-15-
InChIKey
DBBZRSGMXKCRDJ-CYVLTUHYSA-N
Synonyms

(5Z)3HEXYL5((2(3METHYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(3methylpiperidin1yl)4Hpyrido(12a)pyrimidin4one
3HEXYL5((2(3METHYLPIPERIDYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCC(C4)C)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCCC(C2)C)C1=O
InChI=1SC24H30N4O2S2c13457142823(30)19(3224(28)31)151821(261291017(2)1626)252011681327(20)22(18)29h6811131517H357910121416H212H3b1915
MFCD03932973
ZINC000002520484
ZINC000021475740

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Available files

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