Vitas-M small molecule compound
(5Z)-3-butyl-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-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK596840
SMILES CCCCN1C(=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 C26H31N7O6 MW 537.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N7O6/c1-3-5-8-33-21(35)17(20(34)28-25(33)39)13-27-16-6-7-18-15(11-16)12-26(22(36)29-24(38)30-23(26)37)19-14-31(4-2)9-10-32(18)19/h6-7,11,13,19,27H,3-5,8-10,12,14H2,1-2H3,(H,28,34,39)(H2,29,30,36,37,38)/b17-13-InChIKey
NEYWPSYGDSLFNS-LGMDPLHJSA-NSynonyms
(5Z)3butyl5(((3ethyl26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)N=C(C(=CNc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)C1=O)O
MFCD07198546
ZINC000097968365
ZINC000097968366
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