Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793993
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)/C(=O)N1C(c1ccccc1)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 C32H30N4O2S2 MW 566.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2S2/c1-22(25-12-6-3-7-13-25)36-31(38)27(40-32(36)39)21-26-29(33-28-14-8-9-17-35(28)30(26)37)34-18-15-24(16-19-34)20-23-10-4-2-5-11-23/h2-14,17,21-22,24H,15-16,18-20H2,1H3/b27-21-InChIKey
ALMOFJKJSRBYQP-MEFGMAGPSA-NSynonyms
(5Z)5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2(4benzylpiperidin1yl)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCC(CC5)CC6=CC=CC=C6)SC2=S
InChI=1SC32H30N4O2S2c122(25126371325)3631(38)27(4032(36)39)212629(332814891735(28)30(26)37)34181524(161934)2023104251123h21417212224H15161820H21H3b2721
MFCD02998021
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C(=O)N1C(c1ccccc1)C
ZINC000097947432
ZINC000097947433
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