Vitas-M small molecule compound

ethyl 4-{3-[(Z)-(3-butyl-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
STK611246
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)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 C24H29N5O4S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O4S2/c1-4-6-9-29-22(31)18(35-24(29)34)15-17-20(25-19-16(3)8-7-10-28(19)21(17)30)26-11-13-27(14-12-26)23(32)33-5-2/h7-8,10,15H,4-6,9,11-14H2,1-3H3/b18-15-
InChIKey
UDQHOHLBOTXIDZ-SDXDJHTJSA-N
Synonyms
607692-55-7
(Z)ethyl4(3((3butyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692557
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C(=O)OCC)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C(=O)OCC)C1=O
ETHYL4(3((3BUTYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(3((Z)(3BUTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC24H29N5O4S2c14692922(31)18(3524(29)34)151720(251916(3)871028(19)21(17)30)26111327(141226)23(32)3352h781015H4691114H213H3b1815
MFCD03663971
ZINC000008858371
ZINC8858371

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.