Vitas-M small molecule compound

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

Catalog ID
STL336337
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(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 C25H30N4O4S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4S2/c1-3-5-7-13-29-23(31)19(35-25(29)34)16-18-21(26-20-9-6-8-12-28(20)22(18)30)27-14-10-17(11-15-27)24(32)33-4-2/h6,8-9,12,16-17H,3-5,7,10-11,13-15H2,1-2H3/b19-16-
InChIKey
VXEGDTVLRYQFOD-MNDPQUGUSA-N
Synonyms
615272-81-6
(Z)ethyl1(4oxo3((4oxo3pentyl2thioxothiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615272816
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)OCC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)OCC)C1=O
ETHYL1(4OXO3((4OXO3PENTYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(4OXO3((Z)(4OXO3PENTYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(4oxo3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC25H30N4O4S2c1357132923(31)19(3525(29)34)161821(26209681228(20)22(18)30)27141017(111527)24(32)3342h689121617H35710111315H212H3b1916
MFCD03665284
ZINC000012284896
ZINC12284896

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Available files

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