Vitas-M small molecule compound

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

Catalog ID
STL056825
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/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 C29H32FN5O2S2 MW 565.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FN5O2S2/c1-3-4-5-8-13-35-28(37)24(39-29(35)38)19-21-26(31-25-20(2)10-9-14-34(25)27(21)36)33-17-15-32(16-18-33)23-12-7-6-11-22(23)30/h6-7,9-12,14,19H,3-5,8,13,15-18H2,1-2H3/b24-19-
InChIKey
YIDPGODCIQFTML-CLCOLTQESA-N
Synonyms

(5Z)5((2(4(2FLUOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3hexyl2thioxothiazolidin4one
2(4(2fluorophenyl)piperazin1yl)3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
5((2(4(2FLUOROPHENYL)PIPERAZINYL)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3HEXYL2THIOXO13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=CC=C5F)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)C1=O
InChI=1SC29H32FN5O2S2c13458133528(37)24(3929(35)38)192126(312520(2)1091434(25)27(21)36)33171532(161833)2312761122(23)30h679121419H358131518H212H3b2419
MFCD03667898
ZINC000097947733
ZINC97947733

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Available files

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