Vitas-M small molecule compound
3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794140
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)/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 C25H33N5O3S2 MW 515.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O3S2/c1-3-4-5-6-9-30-24(33)20(35-25(30)34)17-19-22(28-13-11-27(12-14-28)15-16-31)26-21-18(2)8-7-10-29(21)23(19)32/h7-8,10,17,31H,3-6,9,11-16H2,1-2H3/b20-17-InChIKey
WCPFFXSSBHICLJ-JZJYNLBNSA-NSynonyms
488825-52-1(5Z)3HEXYL5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3hexyl5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(2hydroxyethyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
3HEXYL5((2(4(2HYDROXYETHYL)PIPERAZINYL)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
488825521
CCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CCO)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)C1=O
InChI=1SC25H33N5O3S2c1345693024(33)20(3525(30)34)171922(28131127(121428)151631)262118(2)871029(21)23(19)32h78101731H3691116H212H3b2017
MFCD03293934
ZINC000020080585
ZINC20080585
Check stock
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Check stock on Vitas-MAvailable files
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