Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793899
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)/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 C28H30N4O2S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S2/c1-2-3-14-32-27(34)23(36-28(32)35)19-22-25(29-24-11-7-8-15-31(24)26(22)33)30-16-12-21(13-17-30)18-20-9-5-4-6-10-20/h4-11,15,19,21H,2-3,12-14,16-18H2,1H3/b23-19-InChIKey
SSQLMZYHHIVBCO-NMWGTECJSA-NSynonyms
381713-92-4(5Z)5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3butyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
381713924
CCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC28H30N4O2S2c123143227(34)23(3628(32)35)192225(292411781531(24)26(22)33)30161221(131730)182095461020h411151921H2312141618H21H3b2319
MFCD02998659
ZINC000008834814
ZINC8834814
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