Vitas-M small molecule compound
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK703078
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)/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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-4-5-12-33-27(35)23(38-28(33)37)18-22-25(29-24-19(2)7-6-13-32(24)26(22)34)31-16-14-30(15-17-31)20-8-10-21(36-3)11-9-20/h6-11,13,18H,4-5,12,14-17H2,1-3H3/b23-18-InChIKey
NTCMJKJVQOUQBY-NKFKGCMQSA-NSynonyms
385391-03-7(5Z)3BUTYL5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((2(4(4methoxyphenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
385391037
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=C(C=C5)OC)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)OC)C1=O
InChI=1SC28H31N5O3S2c145123327(35)23(3828(33)37)182225(292419(2)761332(24)26(22)34)31161430(151731)2081021(363)11920h6111318H45121417H213H3b2318
MFCD03285710
ZINC000100824701
ZINC100824701
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.