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methyl (1-{3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate

Catalog ID
STL025359
SMILES COC(=O)CC1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

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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 C25H27N5O5S2 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O5S2/c1-14-6-5-10-29-20(14)27-21(28-11-9-26-22(32)17(28)13-19(31)35-2)16(23(29)33)12-18-24(34)30(25(36)37-18)15-7-3-4-8-15/h5-6,10,12,15,17H,3-4,7-9,11,13H2,1-2H3,(H,26,32)/b18-12-
InChIKey
LKRSVTNQKHKUDH-PDGQHHTCSA-N
Synonyms

(Z)methyl2(1(3((3cyclopentyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4CCCC4)N5CCNC(=O)C5CC(=O)OC
COC(=O)CC1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCC1
InChI=1SC25H27N5O5S2c11465102920(14)2721(281192622(32)17(28)1319(31)352)16(23(29)33)121824(34)30(25(36)3718)15734815h5610121517H34791113H212H3(H2632)b1812
methyl(1(3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(3((3CYCLOPENTYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(3((Z)(3CYCLOPENTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03301784
ZINC000002348863
ZINC000100891813

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Available files

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