Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK881667
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)F)/C1=O)C
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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/c1-4-18(3)33-26(35)22(37-27(33)36)16-21-24(29-23-17(2)6-5-11-32(23)25(21)34)31-14-12-30(13-15-31)20-9-7-19(28)8-10-20/h5-11,16,18H,4,12-15H2,1-3H3/b22-16-InChIKey
SLLRVAWQRYIOLL-JWGURIENSA-NSynonyms
(5Z)3BUTAN2YL5((2(4(4FLUOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)3(secbutyl)5((2(4(4fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4fluorophenyl)piperazin1yl)9methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C5=CC=C(C=C5)F)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccc(cc2)F)C1=O)C
InChI=1SC27H28FN5O2S2c1418(3)3326(35)22(3727(33)36)162124(292317(2)651132(23)25(21)34)31141230(131531)209719(28)81020h5111618H41215H213H3b2216
MFCD18075935
ZINC000002254266
ZINC000002254268
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.