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methyl (1-{7-methyl-4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate

Catalog ID
STK580931
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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/c1-4-5-6-10-29-24(34)18(37-25(29)36)12-16-21(27-19-8-7-15(2)14-30(19)23(16)33)28-11-9-26-22(32)17(28)13-20(31)35-3/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,26,32)/b18-12-
InChIKey
BTSFSKCXRNBBMS-PDGQHHTCSA-N
Synonyms

(Z)methyl2(1(7methyl4oxo3((4oxo3pentyl2thioxothiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)C1=O
InChI=1SC25H29N5O5S2c1456102924(34)18(3725(29)36)121621(27198715(2)1430(19)23(16)33)281192622(32)17(28)1320(31)353h78121417H4691113H213H3(H2632)b1812
methyl(1(7methyl4oxo3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(7METHYL4OXO3((4OXO3PENTYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(7METHYL4OXO3((Z)(4OXO3PENTYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03665896
ZINC000100871279
ZINC000100871280

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Available files

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