Vitas-M small molecule compound
3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793729
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)/C(=O)N1Cc1ccccc1
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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 C31H28N4O2S2 MW 552.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O2S2/c36-29-25(20-26-30(37)35(31(38)39-26)21-24-11-5-2-6-12-24)28(32-27-13-7-8-16-34(27)29)33-17-14-23(15-18-33)19-22-9-3-1-4-10-22/h1-13,16,20,23H,14-15,17-19,21H2/b26-20-InChIKey
HHUJXZLGWHKNPM-QOMWVZHYSA-NSynonyms
(5Z)3BENZYL5((2(4BENZYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((2(4benzylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4benzylpiperidin1yl)4Hpyrido(12a)pyrimidin4one
C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC6=CC=CC=C6
InChI=1SC31H28N4O2S2c362925(202630(37)35(31(38)3926)2124115261224)28(322713781634(27)29)33171423(151833)192293141022h113162023H1415171921H2b2620
MFCD02991864
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)Cc2ccccc2)C(=O)N1Cc1ccccc1
ZINC000096022184
ZINC96022184
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