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-3-carboxylate
Catalog ID
STK881624
SMILES CCOC(=O)C1CCCN(C1)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)18-10-8-13-29(16-18)23-20(24(32)30-14-7-9-17(2)22(30)28-23)15-21-25(33)31(27(36)37-21)19-11-5-4-6-12-19/h7,9,14-15,18-19H,3-6,8,10-13,16H2,1-2H3/b21-15-InChIKey
ACRKWKGQLPVWIA-QNGOZBTKSA-NSynonyms
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCCC1
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)C5CCCCC5
ethyl1(3((Z)(3cyclohexyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)9methyl4oxopyrido(12a)pyrimidin2yl)piperidine3carboxylate
ethyl1(3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
InChI=1SC27H32N4O4S2c133526(34)181081329(1618)2320(24(32)30147917(2)22(30)2823)152125(33)31(27(36)3721)19115461219h7914151819H368101316H212H3b2115
MFCD18075924
ZINC000097947275
ZINC000097947276
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