Vitas-M small molecule compound
2-[cyclohexyl(methyl)amino]-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK797249
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N(C2CCCCC2)C)/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 C25H32N4O2S2 MW 484.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O2S2/c1-3-4-5-10-16-29-24(31)20(33-25(29)32)17-19-22(27(2)18-12-7-6-8-13-18)26-21-14-9-11-15-28(21)23(19)30/h9,11,14-15,17-18H,3-8,10,12-13,16H2,1-2H3/b20-17-InChIKey
JARHVALDQGSGQH-JZJYNLBNSA-NSynonyms
(5Z)5((2(CYCLOHEXYL(METHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexyl(methyl)amino)3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N(C)C4CCCCC4)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N(C2CCCCC2)C)C1=O
InChI=1SC25H32N4O2S2c134510162924(31)20(3325(29)32)171922(27(2)18127681318)2621149111528(21)23(19)30h91114151718H3810121316H212H3b2017
MFCD03225914
ZINC000016699780
ZINC16699780
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