Vitas-M small molecule compound

3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK542901
SMILES CC(CNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C24H22N4O4S2 MW 494.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S2/c1-14(2)11-25-21-16(22(29)27-8-4-3-5-20(27)26-21)10-19-23(30)28(24(33)34-19)12-15-6-7-17-18(9-15)32-13-31-17/h3-10,14,25H,11-13H2,1-2H3/b19-10-
InChIKey
CPGBFIRFDRWHLD-GRSHGNNSSA-N
Synonyms
498538-16-2
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((2(isobutylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2methylpropyl)amino)4Hpyrido(12a)pyrimidin4one
498538162
CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5
CC(CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
InChI=1SC24H22N4O4S2c114(2)11252116(22(29)27843520(27)2621)101923(30)28(24(33)3419)1215671718(915)32133117h3101425H1113H212H3b1910
MFCD03301875
ZINC000013598573
ZINC13598573

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Available files

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