Vitas-M small molecule compound
2-(cyclohexylamino)-3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705096
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NC3CCCCC3)nc3n(c2=O)cccc3)/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/c1-2-3-4-5-10-16-29-24(31)20(33-25(29)32)17-19-22(26-18-12-7-6-8-13-18)27-21-14-9-11-15-28(21)23(19)30/h9,11,14-15,17-18,26H,2-8,10,12-13,16H2,1H3/b20-17-InChIKey
CTWJJIUAMIXNSY-JZJYNLBNSA-NSynonyms
(5Z)5((2(CYCLOHEXYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEPTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(cyclohexylamino)3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NC4CCCCC4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NC3CCCCC3)nc3n(c2=O)cccc3)C1=O
InChI=1SC25H32N4O2S2c1234510162924(31)20(3325(29)32)171922(2618127681318)2721149111528(21)23(19)30h9111415171826H2810121316H21H3b2017
MFCD04446724
ZINC000097946613
ZINC97946613
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