Vitas-M small molecule compound

2-(4-benzylpiperazin-1-yl)-9-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
STK706453
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(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 C29H33N5O2S2 MW 547.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O2S2/c1-3-4-8-13-34-28(36)24(38-29(34)37)19-23-26(30-25-21(2)10-9-14-33(25)27(23)35)32-17-15-31(16-18-32)20-22-11-6-5-7-12-22/h5-7,9-12,14,19H,3-4,8,13,15-18,20H2,1-2H3/b24-19-
InChIKey
MAJBJTJQFVJAEP-CLCOLTQESA-N
Synonyms
477735-25-4
(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)9methyl3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
477735254
CCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC29H33N5O2S2c1348133428(36)24(3829(34)37)192326(302521(2)1091433(25)27(23)35)32171531(161832)2022116571222h579121419H34813151820H212H3b2419
MFCD03302294
ZINC000100893638
ZINC100893638

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Available files

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