Vitas-M small molecule compound
ethyl (1-{3-[(Z)-(3-benzyl-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
STK798904
SMILES CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C27H25N5O5S2 MW 563.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S2/c1-2-37-22(33)15-19-24(34)28-11-13-30(19)23-18(25(35)31-12-7-6-10-21(31)29-23)14-20-26(36)32(27(38)39-20)16-17-8-4-3-5-9-17/h3-10,12,14,19H,2,11,13,15-16H2,1H3,(H,28,34)/b20-14-InChIKey
RFVYIJFSMHHNGW-ZHZULCJRSA-NSynonyms
CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1
CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5
ethyl(1(3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
ETHYL2(1(3((Z)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
ETHYL2(3OXO1(4OXO3((4OXO3BENZYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)(5HYDROPYRIDINO(12A)PYRIMIDIN2YL))PIPERAZIN2YL)ACETATE
InChI=1SC27H25N5O5S2c123722(33)151924(34)28111330(19)2318(25(35)3112761021(31)2923)142026(36)32(27(38)3920)16178435917h310121419H211131516H21H3(H2834)b2014
MFCD03462129
ZINC000097957646
ZINC000097957647
Check stock
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Check stock on Vitas-MAvailable files
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