Vitas-M small molecule compound
ethyl 4-(3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Catalog ID
STL071357
SMILES CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)OC
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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 C27H27N5O5S2 MW 565.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S2/c1-3-37-26(35)30-14-12-29(13-15-30)23-20(24(33)31-11-5-4-6-22(31)28-23)16-21-25(34)32(27(38)39-21)17-18-7-9-19(36-2)10-8-18/h4-11,16H,3,12-15,17H2,1-2H3/b21-16-InChIKey
ASPVWQXYQXUDOB-PGMHBOJBSA-NSynonyms
(Z)ethyl4(3((3(4methoxybenzyl)4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)OC
CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=C(C=C5)OC
ETHYL4(3((3((4METHOXYPHENYL)METHYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(3((Z)(3((4METHOXYPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC27H27N5O5S2c133726(35)30141229(131530)2320(24(33)311154622(31)2823)162125(34)32(27(38)3921)17187919(362)10818h41116H3121517H212H3b2116
MFCD03666569
ZINC000097947713
ZINC97947713
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