Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816403
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)/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 C22H27N5O2S2 MW 457.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2S2/c1-5-15(3)27-21(29)17(31-22(27)30)12-16-19(25-10-8-24(4)9-11-25)23-18-7-6-14(2)13-26(18)20(16)28/h6-7,12-13,15H,5,8-11H2,1-4H3/b17-12-InChIKey
LFYYSNOYQFJEKU-ATVHPVEESA-NSynonyms
500143-97-5(5Z)3BUTAN2YL5((7METHYL2(4METHYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((7methyl2(4methylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(4methylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
500143975
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)C)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)C1=O)C
InChI=1SC22H27N5O2S2c1515(3)2721(29)17(3122(27)30)121619(2510824(4)91125)23187614(2)1326(18)20(16)28h67121315H5811H214H3b1712
MFCD03304373
ZINC000002358488
ZINC000002358491
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.