Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK632353
SMILES C=CCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/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 C24H20N4O2S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S2/c1-2-11-28-23(30)19(32-24(28)31)14-18-21(25-20-9-5-6-12-27(20)22(18)29)26-13-10-16-7-3-4-8-17(16)15-26/h2-9,12,14H,1,10-11,13,15H2/b19-14+InChIKey
DAAKHPZIMKIPJQ-XMHGGMMESA-NSynonyms
(5E)5((2(34dihydro1Hisoquinolin2yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(Z)3allyl5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)3((E)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC5=CC=CC=C5C4)SC1=S
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)C1=O
InChI=1SC24H20N4O2S2c12112823(30)19(3224(28)31)141821(25209561227(20)22(18)29)26131016734817(16)1526h291214H110111315H2b1914+
MFCD18159759
ZINC000036585249
ZINC36585249
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