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ethyl [1-(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
STK794000
SMILES CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(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/c1-4-35-20(31)14-17-22(32)26-9-12-28(17)21-16(23(33)29-10-6-5-7-19(29)27-21)13-18-24(34)30(25(36)37-18)11-8-15(2)3/h5-7,10,13,15,17H,4,8-9,11-12,14H2,1-3H3,(H,26,32)/b18-13-
InChIKey
NAEZCFFYAFEXNM-AQTBWJFISA-N
Synonyms

(Z)ethyl2(1(3((3isopentyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(C)C
CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC(C)C
ethyl(1(3((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
ETHYL2(1(3((3(3METHYLBUTYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))3OXOPIPERAZIN2YL)ACETATE
ETHYL2(1(3((Z)(3(3METHYLBUTYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
InChI=1SC25H29N5O5S2c143520(31)141722(32)2691228(17)2116(23(33)291065719(29)2721)131824(34)30(25(36)3718)11815(2)3h5710131517H489111214H213H3(H2632)b1813
MFCD03294213
ZINC000100858212
ZINC000100858213

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Available files

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