Vitas-M small molecule compound
2-[cyclohexyl(methyl)amino]-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK797191
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N(C2CCCCC2)C)/C(=O)N1CCc1ccccc1
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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 C27H28N4O2S2 MW 504.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S2/c1-29(20-12-6-3-7-13-20)24-21(25(32)30-16-9-8-14-23(30)28-24)18-22-26(33)31(27(34)35-22)17-15-19-10-4-2-5-11-19/h2,4-5,8-11,14,16,18,20H,3,6-7,12-13,15,17H2,1H3/b22-18-InChIKey
VRCPYMZRPADCGO-PYCFMQQDSA-NSynonyms
(5Z)5((2(cyclohexyl(methyl)amino)4oxopyrido(12a)pyrimidin3yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((2(CYCLOHEXYL(METHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexyl(methyl)amino)3((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CN(C1CCCCC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC5=CC=CC=C5
InChI=1SC27H28N4O2S2c129(20126371320)2421(25(32)3016981423(30)2824)182226(33)31(27(34)3522)171519104251119h24581114161820H36712131517H21H3b2218
MFCD03225902
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N(C2CCCCC2)C)C(=O)N1CCc1ccccc1
ZINC000012614441
ZINC12614441
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.