Vitas-M small molecule compound

2-(4-benzylpiperidin-1-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
STL363434
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)Cc2ccccc2)/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 C30H34N4O2S2 MW 546.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O2S2/c1-3-4-8-15-33-29(36)25(38-30(33)37)19-24-27(31-26-12-11-21(2)20-34(26)28(24)35)32-16-13-23(14-17-32)18-22-9-6-5-7-10-22/h5-7,9-12,19-20,23H,3-4,8,13-18H2,1-2H3/b25-19-
InChIKey
IQVDABJHRMSSNZ-PLRJNAJWSA-N
Synonyms
615275-75-7
(5Z)5((2(4BENZYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)7methyl3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((7METHYL4OXO2(4BENZYLPIPERIDYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3PENTYL2THIOXO13THIAZOLIDIN4ONE
615275757
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC30H34N4O2S2c1348153329(36)25(3830(33)37)192427(3126121121(2)2034(26)28(24)35)32161323(141732)182296571022h57912192023H3481318H212H3b2519
MFCD03663183
ZINC000100863384
ZINC100863384

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Available files

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