Vitas-M small molecule compound
ethyl 1-(4-oxo-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
Catalog ID
STL336395
SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)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 C23H26N4O4S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S2/c1-4-31-22(30)15-8-11-25(12-9-15)19-16(20(28)26-10-6-5-7-18(26)24-19)13-17-21(29)27(14(2)3)23(32)33-17/h5-7,10,13-15H,4,8-9,11-12H2,1-3H3/b17-13-InChIKey
WYVRJOTXCNISJF-LGMDPLHJSA-NSynonyms
615272-57-6(Z)ethyl1(3((3isopropyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615272576
CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(C)C
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)C(C)C
ETHYL1(3((3(METHYLETHYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(4oxo3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
ETHYL1(4OXO3((Z)(4OXO3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC23H26N4O4S2c143122(30)1581125(12915)1916(20(28)261065718(26)2419)131721(29)27(14(2)3)23(32)3317h57101315H4891112H213H3b1713
MFCD03665770
ZINC000009012976
ZINC9012976
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