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

Catalog ID
STK794001
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OC)/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 C25H29N5O5S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5S2/c1-3-4-5-7-12-30-24(34)18(37-25(30)36)14-16-21(27-19-9-6-8-11-29(19)23(16)33)28-13-10-26-22(32)17(28)15-20(31)35-2/h6,8-9,11,14,17H,3-5,7,10,12-13,15H2,1-2H3,(H,26,32)/b18-14-
InChIKey
JMHKEMYOHAWWGF-JXAWBTAJSA-N
Synonyms
4657-18-5
(Z)methyl2(1(3((3hexyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
4657185
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCNC(=O)C4CC(=O)OC)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OC)C1=O
InChI=1SC25H29N5O5S2c13457123024(34)18(3725(30)36)141621(27199681129(19)23(16)33)2813102622(32)17(28)1520(31)352h689111417H35710121315H212H3(H2632)b1814
methyl(1(3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(3(((5Z)3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(3((3HEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(3((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03289419
ZINC000100837627
ZINC000100837630

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Available files

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