Vitas-M small molecule compound

ethyl 1-{3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

Catalog ID
STL336596
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

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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 C26H30N4O4S2 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4S2/c1-3-34-25(33)17-10-13-28(14-11-17)22-19(23(31)29-12-6-7-16(2)21(29)27-22)15-20-24(32)30(26(35)36-20)18-8-4-5-9-18/h6-7,12,15,17-18H,3-5,8-11,13-14H2,1-2H3/b20-15-
InChIKey
OITJCTUFFUSGHR-HKWRFOASSA-N
Synonyms
615271-70-0
(Z)ethyl1(3((3cyclopentyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615271700
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCC1
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)C5CCCC5
ETHYL1(3((3CYCLOPENTYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3CYCLOPENTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC26H30N4O4S2c133425(33)17101328(141117)2219(23(31)29126716(2)21(29)2722)152024(32)30(26(35)3620)18845918h6712151718H358111314H212H3b2015
MFCD03667405
ZINC000008968687
ZINC8968687

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Available files

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