Vitas-M small molecule compound

ethyl 4-(3-{(Z)-[3-(3-ethoxypropyl)-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
STL363440
SMILES CCOCCCN1C(=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 C25H31N5O5S2 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O5S2/c1-4-34-15-7-10-30-23(32)19(37-25(30)36)16-18-21(26-20-17(3)8-6-9-29(20)22(18)31)27-11-13-28(14-12-27)24(33)35-5-2/h6,8-9,16H,4-5,7,10-15H2,1-3H3/b19-16-
InChIKey
ZCPMJJSSYCUKBJ-MNDPQUGUSA-N
Synonyms
607694-27-9
(Z)ethyl4(3((3(3ethoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607694279
CCOCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C(=O)OCC)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C(=O)OCC)C1=O
ETHYL4(3((3(3ETHOXYPROPYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(3((Z)(3(3ETHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC25H31N5O5S2c1434157103023(32)19(3725(30)36)161821(262017(3)86929(20)22(18)31)27111328(141227)24(33)3552h68916H4571015H213H3b1916
MFCD03666750
ZINC000100863786
ZINC100863786

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Available files

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