Vitas-M small molecule compound
ethyl 4-{3-[(Z)-(3-hexyl-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
STL363473
SMILES CCCCCCN1C(=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 C26H33N5O4S2 MW 543.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O4S2/c1-4-6-7-8-11-31-24(33)20(37-26(31)36)17-19-22(27-21-18(3)10-9-12-30(21)23(19)32)28-13-15-29(16-14-28)25(34)35-5-2/h9-10,12,17H,4-8,11,13-16H2,1-3H3/b20-17-InChIKey
RCKYNSJICFJMJQ-JZJYNLBNSA-NSynonyms
607692-68-2(Z)ethyl4(3((3hexyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692682
CCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C(=O)OCC)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C(=O)OCC)C1=O
ETHYL4(3((3HEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ETHYL4(3((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
InChI=1SC26H33N5O4S2c14678113124(33)20(3726(31)36)171922(272118(3)1091230(21)23(19)32)28131529(161428)25(34)3552h9101217H48111316H213H3b2017
MFCD03664729
ZINC000100863828
ZINC100863828
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