Vitas-M small molecule compound

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

Catalog ID
STL363493
SMILES CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)C(=O)OCC)/C1=O

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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/c1-3-8-27-20(29)16(33-22(27)32)14-15-18(23-17-7-5-6-9-26(17)19(15)28)24-10-12-25(13-11-24)21(30)31-4-2/h5-7,9,14H,3-4,8,10-13H2,1-2H3/b16-14-
InChIKey
YFTAENVORUSXFB-PEZBUJJGSA-N
Synonyms
607692-47-7
(Z)ethyl4(4oxo3((4oxo3propyl2thioxothiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692477
CCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C(=O)OCC)SC1=S
CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)C(=O)OCC)C1=O
ETHYL4(4OXO3((4OXO3PROPYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(4OXO3((Z)(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(4oxo3((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC22H25N5O4S2c1382720(29)16(3322(27)32)141518(2317756926(17)19(15)28)24101225(131124)21(30)3142h57914H3481013H212H3b1614
MFCD03663333
ZINC000001447008
ZINC1447008

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Available files

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