Vitas-M small molecule compound
ethyl 1-{3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
Catalog ID
STL336242
SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c1-3-29-20(28)13-7-10-24(11-8-13)17-14(12-15-19(27)23(2)21(30)31-15)18(26)25-9-5-4-6-16(25)22-17/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3/b15-12-InChIKey
NSGPCJCCIGQFBK-QINSGFPZSA-NSynonyms
615272-63-4(Z)ethyl1(3((3methyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615272634
CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)C
ETHYL1(3((3METHYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3METHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC21H22N4O4S2c132920(28)1371024(11813)1714(121519(27)23(2)21(30)3115)18(26)25954616(25)2217h4691213H3781011H212H3b1512
MFCD03664456
ZINC000001480765
ZINC1480765
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