Vitas-M small molecule compound
2-[(2-hydroxyethyl)amino]-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK817024
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCO)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 C22H28N4O3S2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S2/c1-2-3-4-5-6-8-13-26-21(29)17(31-22(26)30)15-16-19(23-11-14-27)24-18-10-7-9-12-25(18)20(16)28/h7,9-10,12,15,23,27H,2-6,8,11,13-14H2,1H3/b17-15-InChIKey
GNJRTLWIHFQVSM-ICFOKQHNSA-NSynonyms
(5Z)5((2(2HYDROXYETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((2hydroxyethyl)amino)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCCO)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCCO)nc3n(c2=O)cccc3)C1=O
InChI=1SC22H28N4O3S2c1234568132621(29)17(3122(26)30)151619(23111427)241810791225(18)20(16)28h791012152327H268111314H21H3b1715
MFCD04570702
ZINC000097946667
ZINC97946667
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