Vitas-M small molecule compound
3-[(E)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL157184
SMILES CCCCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccc(cc2)F)/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 C27H28FN5O2S2 MW 537.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN5O2S2/c1-3-4-11-32-26(35)22(37-27(32)36)16-21-24(29-23-10-5-18(2)17-33(23)25(21)34)31-14-12-30(13-15-31)20-8-6-19(28)7-9-20/h5-10,16-17H,3-4,11-15H2,1-2H3/b22-16+InChIKey
SSVATXKABCMDDS-CJLVFECKSA-NSynonyms
608495-82-5(5E)3butyl5((2(4(4fluorophenyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
(E)3butyl5((2(4(4fluorophenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((E)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4fluorophenyl)piperazin1yl)7methyl4Hpyrido(12a)pyrimidin4one
608495825
CCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)C5=CC=C(C=C5)F)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccc(cc2)F)C1=O
InChI=1SC27H28FN5O2S2c134113226(35)22(3727(32)36)162124(292310518(2)1733(23)25(21)34)31141230(131531)208619(28)7920h5101617H341115H212H3b2216+
MFCD03690899
ZINC000100860317
ZINC100860317
Check stock
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Check stock on Vitas-MAvailable files
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