Vitas-M small molecule compound
3-{(E)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK567693
SMILES CCOCCCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cccc3)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 C27H28FN5O3S2 MW 553.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN5O3S2/c1-2-36-17-5-12-33-26(35)22(38-27(33)37)18-21-24(29-23-6-3-4-11-32(23)25(21)34)31-15-13-30(14-16-31)20-9-7-19(28)8-10-20/h3-4,6-11,18H,2,5,12-17H2,1H3/b22-18+InChIKey
BSMAJDYWNVDVMJ-RELWKKBWSA-NSynonyms
(5E)3(3ethoxypropyl)5((2(4(4fluorophenyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(3ethoxypropyl)5((2(4(4fluorophenyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((E)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4fluorophenyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
CCOCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=C(C=C5)F)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)F)C1=O
InChI=1SC27H28FN5O3S2c1236175123326(35)22(3827(33)37)182124(29236341132(23)25(21)34)31151330(141631)209719(28)81020h3461118H251217H21H3b2218+
MFCD03694340
ZINC000097967321
ZINC97967321
Check stock
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Check stock on Vitas-MAvailable files
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