Vitas-M small molecule compound
ethyl 1-{3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
Catalog ID
STL336246
SMILES CCCCCCN1C(=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 C26H32N4O4S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O4S2/c1-3-5-6-8-14-30-24(32)20(36-26(30)35)17-19-22(27-21-10-7-9-13-29(21)23(19)31)28-15-11-18(12-16-28)25(33)34-4-2/h7,9-10,13,17-18H,3-6,8,11-12,14-16H2,1-2H3/b20-17-InChIKey
OYXOGHPMHBJTHF-JZJYNLBNSA-NSynonyms
615272-77-0(Z)ethyl1(3((3hexyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615272770
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)OCC)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)OCC)C1=O
ETHYL1(3((3HEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC26H32N4O4S2c13568143024(32)20(3626(30)35)171922(272110791329(21)23(19)31)28151118(121628)25(33)3442h7910131718H36811121416H212H3b2017
MFCD03664465
ZINC000009374459
ZINC9374459
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