Vitas-M small molecule compound
ethyl 1-{9-methyl-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
STL336299
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)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/c1-4-6-7-12-30-24(32)20(36-26(30)35)16-19-22(27-21-17(3)9-8-13-29(21)23(19)31)28-14-10-18(11-15-28)25(33)34-5-2/h8-9,13,16,18H,4-7,10-12,14-15H2,1-3H3/b20-16-InChIKey
OKHZHGHSZNWWHC-SILNSSARSA-NSynonyms
615271-86-8(Z)ethyl1(9methyl4oxo3((4oxo3pentyl2thioxothiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615271868
CCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCC(CC2)C(=O)OCC)C1=O
ETHYL1(9METHYL4OXO3((4OXO3PENTYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(9METHYL4OXO3((Z)(4OXO3PENTYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(9methyl4oxo3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC26H32N4O4S2c1467123024(32)20(3626(30)35)161922(272117(3)981329(21)23(19)31)28141018(111528)25(33)3452h89131618H4710121415H213H3b2016
MFCD03664989
ZINC000008857875
ZINC8857875
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