Vitas-M small molecule compound

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

Catalog ID
STK793911
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)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 C29H32N4O2S2 MW 532.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S2/c1-3-4-14-33-28(35)24(37-29(33)36)19-23-26(30-25-20(2)9-8-15-32(25)27(23)34)31-16-12-22(13-17-31)18-21-10-6-5-7-11-21/h5-11,15,19,22H,3-4,12-14,16-18H2,1-2H3/b24-19-
InChIKey
SILCTSHPSFAETM-CLCOLTQESA-N
Synonyms

(5Z)5((2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3butyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
3BUTYL5((9METHYL4OXO2(4BENZYLPIPERIDYL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC29H32N4O2S2c134143328(35)24(3729(33)36)192326(302520(2)981532(25)27(23)34)31161222(131731)1821106571121h511151922H3412141618H212H3b2419
MFCD02995213
ZINC000100790326
ZINC100790326

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Available files

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