Vitas-M small molecule compound

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

Catalog ID
STK542787
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/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 C20H22N4O2S3 MW 446.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S3/c1-3-13(2)24-19(26)15(29-20(24)27)12-14-17(22-8-10-28-11-9-22)21-16-6-4-5-7-23(16)18(14)25/h4-7,12-13H,3,8-11H2,1-2H3/b15-12-
InChIKey
QQEIRSTWWBNNFL-QINSGFPZSA-N
Synonyms
488100-02-3
(5Z)3BUTAN2YL5((4OXO2THIOMORPHOLIN4YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((4oxo2thiomorpholino4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(thiomorpholin4yl)4Hpyrido(12a)pyrimidin4one
3(METHYLPROPYL)5((4OXO2(14THIAZAPERHYDROIN4YL)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
488100023
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCSCC4)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCSCC2)C1=O)C
InChI=1SC20H22N4O2S3c1313(2)2419(26)15(2920(24)27)121417(228102811922)2116645723(16)18(14)25h471213H3811H212H3b1512
MFCD03288436
ZINC000002326884
ZINC000002326889

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Available files

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