Vitas-M small molecule compound

ethyl 1-{3-[(Z)-(3-cyclopentyl-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
STL336092
SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=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 C25H28N4O4S2 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S2/c1-2-33-24(32)16-10-13-27(14-11-16)21-18(22(30)28-12-6-5-9-20(28)26-21)15-19-23(31)29(25(34)35-19)17-7-3-4-8-17/h5-6,9,12,15-17H,2-4,7-8,10-11,13-14H2,1H3/b19-15-
InChIKey
GBTIDBNJHMJRCZ-CYVLTUHYSA-N
Synonyms
615272-91-8
(Z)ethyl1(3((3cyclopentyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615272918
CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCC1
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)C5CCCC5
ETHYL1(3((3CYCLOPENTYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3CYCLOPENTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC25H28N4O4S2c123324(32)16101327(141116)2118(22(30)281265920(28)2621)151923(31)29(25(34)3519)17734817h569121517H247810111314H21H3b1915
MFCD03663158
ZINC000008970570
ZINC8970570

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Available files

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