Vitas-M small molecule compound

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

Catalog ID
STL363479
SMILES CCOC(=O)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC

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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 C22H25N5O4S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S2/c1-4-26-20(29)16(33-22(26)32)13-15-18(23-17-14(3)7-6-8-27(17)19(15)28)24-9-11-25(12-10-24)21(30)31-5-2/h6-8,13H,4-5,9-12H2,1-3H3/b16-13-
InChIKey
MDFHFNQWMQXDJE-SSZFMOIBSA-N
Synonyms
607692-43-3
(Z)ethyl4(3((3ethyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692433
CCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C(=O)OCC)SC1=S
CCOC(=O)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CC
ETHYL4(3((3ETHYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(3((Z)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC22H25N5O4S2c142620(29)16(3322(26)32)131518(231714(3)76827(17)19(15)28)2491125(121024)21(30)3152h6813H45912H213H3b1613
MFCD03667396
ZINC000001447002
ZINC1447002

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Available files

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