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methyl [1-(7-methyl-3-{(Z)-[3-(3-methylbutyl)-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
STK587638
SMILES COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(C)C)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 C25H29N5O5S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5S2/c1-14(2)7-9-29-24(34)18(37-25(29)36)11-16-21(27-19-6-5-15(3)13-30(19)23(16)33)28-10-8-26-22(32)17(28)12-20(31)35-4/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,26,32)/b18-11-
InChIKey
AHCXABPDIVXYMZ-WQRHYEAKSA-N
Synonyms

(Z)methyl2(1(3((3isopentyl4oxo2thioxothiazolidin5ylidene)methyl)7methyl4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCNC(=O)C4CC(=O)OC)C=C1
COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(C)C)C
InChI=1SC25H29N5O5S2c114(2)792924(34)18(3725(29)36)111621(27196515(3)1330(19)23(16)33)281082622(32)17(28)1220(31)354h5611131417H71012H214H3(H2632)b1811
methyl(1(7methyl3((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
METHYL2(1(7METHYL3((3(3METHYLBUTYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
METHYL2(1(7METHYL3((Z)(3(3METHYLBUTYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
MFCD03666469
ZINC000100871284
ZINC000100871286

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Available files

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