Vitas-M small molecule compound
(5Z)-5-{[(3-ethyl-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK571925
SMILES C=CCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)/C1=O)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 C25H27N7O6 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N7O6/c1-3-7-32-20(34)16(19(33)27-24(32)38)12-26-15-5-6-17-14(10-15)11-25(21(35)28-23(37)29-22(25)36)18-13-30(4-2)8-9-31(17)18/h3,5-6,10,12,18,26H,1,4,7-9,11,13H2,2H3,(H,27,33,38)(H2,28,29,35,36,37)/b16-12-InChIKey
XFFSMSYIBIKXJY-VBKFSLOCSA-NSynonyms
(5Z)5(((3ethyl26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxy3(prop2en1yl)pyrimidine24(3H5H)dione
C=CCN1C(=O)N=C(C(=CNc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)C1=O)O
MFCD07212393
ZINC000017027356
ZINC000107938602
Check stock
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Check stock on Vitas-MAvailable files
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