Vitas-M small molecule compound
ethyl 1-(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)piperidine-4-carboxylate
Catalog ID
STL040753
SMILES CCOC(=O)C1CCN(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 C28H28N4O5S2 MW 564.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S2/c1-3-37-27(35)19-11-14-30(15-12-19)24-21(25(33)31-13-5-4-6-23(31)29-24)16-22-26(34)32(28(38)39-22)17-18-7-9-20(36-2)10-8-18/h4-10,13,16,19H,3,11-12,14-15,17H2,1-2H3/b22-16-InChIKey
OYXYYYFFQVKIPE-JWGURIENSA-NSynonyms
(Z)ethyl1(3((3(4methoxybenzyl)4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)OC
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=C(C=C5)OC
ETHYL1(3((3((4METHOXYPHENYL)METHYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3((4METHOXYPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC28H28N4O5S2c133727(35)19111430(151219)2421(25(33)311354623(31)2924)162226(34)32(28(38)3922)17187920(362)10818h410131619H31112141517H212H3b2216
MFCD03668576
ZINC000097947689
ZINC97947689
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