Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK703156
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)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 C30H34N4O2S2 MW 546.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O2S2/c1-3-4-8-15-34-29(36)25(38-30(34)37)20-24-27(31-26-21(2)10-9-16-33(26)28(24)35)32-17-13-23(14-18-32)19-22-11-6-5-7-12-22/h5-7,9-12,16,20,23H,3-4,8,13-15,17-19H2,1-2H3/b25-20-InChIKey
GRGVKXNAPPDHLT-QQTULTPQSA-NSynonyms
371210-69-4(5Z)5((2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(4benzylpiperidin1yl)9methyl3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
371210694
CCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)CC5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)C1=O
InChI=1SC30H34N4O2S2c1348153429(36)25(3830(34)37)202427(312621(2)1091633(26)28(24)35)32171323(141832)1922116571222h57912162023H34813151719H212H3b2520
MFCD03009880
ZINC000100815641
ZINC100815641
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