Vitas-M small molecule compound

ethyl 1-(9-methyl-3-{(Z)-[3-(2-methylpropyl)-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
STK603603
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC(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 C25H30N4O4S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4S2/c1-5-33-24(32)17-8-11-27(12-9-17)21-18(22(30)28-10-6-7-16(4)20(28)26-21)13-19-23(31)29(14-15(2)3)25(34)35-19/h6-7,10,13,15,17H,5,8-9,11-12,14H2,1-4H3/b19-13-
InChIKey
IKOCQFNQFHKPSE-UYRXBGFRSA-N
Synonyms
615271-84-6
(Z)ethyl1(3((3isobutyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615271846
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CC(C)C
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CC(C)C
ETHYL1(9METHYL3((3(2METHYLPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(9METHYL3((Z)(3(2METHYLPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(9methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC25H30N4O4S2c153324(32)1781127(12917)2118(22(30)28106716(4)20(28)2621)131923(31)29(1415(2)3)25(34)3519h6710131517H589111214H214H3b1913
MFCD03668651
ZINC000008857874
ZINC8857874

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Available files

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