Vitas-M small molecule compound
(5E)-5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK591501
SMILES CCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCN(C4)c3ccccc3)C(=NC(=NC2=O)O)O)/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 C28H27N7O6 MW 557.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O6/c1-2-34-23(37)19(22(36)30-27(34)41)14-29-17-8-9-20-16(12-17)13-28(24(38)31-26(40)32-25(28)39)21-15-33(10-11-35(20)21)18-6-4-3-5-7-18/h3-9,12,14,21,29H,2,10-11,13,15H2,1H3,(H,30,36,41)(H2,31,32,38,39,40)/b19-14+InChIKey
GOGQTZPRLPFDGN-XMHGGMMESA-NSynonyms
(5E)5(((26dihydroxy4oxo3phenyl2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)1ethylpyrimidine246(1H3H5H)trione
8(((E)(1ethyl246trioxo13diazinan5ylidene)methyl)amino)3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C4N3CCN(C4)c3ccccc3)C(=NC(=NC2=O)O)O)C1=O
InChI=1SC28H27N7O6c123423(37)19(22(36)3027(34)41)142917892016(1217)1328(24(38)3126(40)3225(28)39)211533(101135(20)21)186435718h3912142129H210111315H21H3(H303641)(H23132383940)b1914+
MFCD07200485
ZINC000097968240
ZINC000097968241
Check stock
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