Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705315
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCC=C)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 C22H26N4O2S2 MW 442.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S2/c1-3-5-6-7-9-14-26-21(28)17(30-22(26)29)15-16-19(23-12-4-2)24-18-11-8-10-13-25(18)20(16)27/h4,8,10-11,13,15,23H,2-3,5-7,9,12,14H2,1H3/b17-15-InChIKey
RWJRTTPHJTVSCL-ICFOKQHNSA-NSynonyms
(5Z)3HEPTYL5((4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC=C)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCC=C)nc3n(c2=O)cccc3)C1=O
InChI=1SC22H26N4O2S2c135679142621(28)17(3022(26)29)151619(231242)2418118101325(18)20(16)27h481011131523H235791214H21H3b1715
MFCD04446775
ZINC000097946677
ZINC97946677
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