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]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL057413
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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/c1-3-4-5-8-13-34-28(37)24(39-29(34)38)18-21-26(31-25-12-11-20(2)19-35(25)27(21)36)33-16-14-32(15-17-33)23-10-7-6-9-22(23)30/h6-7,9-12,18-19H,3-5,8,13-17H2,1-2H3/b24-18-InChIKey
YAUPAUVAIZWCAT-MOHJPFBDSA-NSynonyms
(5Z)5((2(4(2FLUOROPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2fluorophenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3hexyl2thioxothiazolidin4one
2(4(2fluorophenyl)piperazin1yl)3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
5((2(4(2FLUOROPHENYL)PIPERAZINYL)7METHYL4OXO(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)cc(cc3)C)N2CCN(CC2)c2ccccc2F)C1=O
InChI=1SC29H32FN5O2S2c13458133428(37)24(3929(34)38)182126(3125121120(2)1935(25)27(21)36)33161432(151733)231076922(23)30h679121819H3581317H212H3b2418
MFCD03663227
ZINC000097947741
ZINC97947741
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