Vitas-M small molecule compound

ethyl 1-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

Catalog ID
STK612960
SMILES CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCCC1

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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 C27H32N4O4S2 MW 540.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4S2/c1-3-35-26(34)18-11-14-29(15-12-18)23-20(24(32)30-13-7-8-17(2)22(30)28-23)16-21-25(33)31(27(36)37-21)19-9-5-4-6-10-19/h7-8,13,16,18-19H,3-6,9-12,14-15H2,1-2H3/b21-16-
InChIKey
XCWNKKGHDAZAJX-PGMHBOJBSA-N
Synonyms
615271-76-6
(Z)ethyl1(3((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
615271766
CCOC(=O)C1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCCC1
CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)C5CCCCC5
ETHYL1(3((3CYCLOHEXYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)9METHYL4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ETHYL1(3((Z)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXYLATE
ethyl1(3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxylate
InChI=1SC27H32N4O4S2c133526(34)18111429(151218)2320(24(32)30137817(2)22(30)2823)162125(33)31(27(36)3721)1995461019h7813161819H369121415H212H3b2116
MFCD03662546
ZINC000100860890
ZINC100860890

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Available files

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