Vitas-M small molecule compound

3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK555136
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O)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 C25H24N4O2S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S2/c1-3-16(2)29-24(31)20(33-25(29)32)14-19-22(26-21-10-6-7-12-28(21)23(19)30)27-13-11-17-8-4-5-9-18(17)15-27/h4-10,12,14,16H,3,11,13,15H2,1-2H3/b20-14-
InChIKey
DOQJOKJBVJSOPQ-ZHZULCJRSA-N
Synonyms
840509-59-3
(5Z)3BUTAN2YL5((2(34DIHYDRO1HISOQUINOLIN2YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(34dihydroisoquinolin2(1H)yl)4Hpyrido(12a)pyrimidin4one
840509593
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC5=CC=CC=C5C4)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)C1=O)C
InChI=1SC25H24N4O2S2c1316(2)2924(31)20(3325(29)32)141922(262110671228(21)23(19)30)27131117845918(17)1527h410121416H3111315H212H3b2014
MFCD04009109
ZINC000013752043
ZINC000013752045

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.