Vitas-M small molecule compound
(5Z)-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}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK596773
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(N/C=C\3/C(=NC(=O)N(C3=O)C)O)ccc1N1C2CN(CC1)c1ccccc1
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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 C27H25N7O6 MW 543.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O6/c1-32-22(36)18(21(35)29-26(32)40)13-28-16-7-8-19-15(11-16)12-27(23(37)30-25(39)31-24(27)38)20-14-33(9-10-34(19)20)17-5-3-2-4-6-17/h2-8,11,13,20,28H,9-10,12,14H2,1H3,(H,29,35,40)(H2,30,31,37,38,39)/b18-13-InChIKey
NWFTXQGLTACDOM-AQTBWJFISA-NSynonyms
(5Z)5(((26dihydroxy4oxo3phenyl2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxy3methylpyrimidine24(3H5H)dione
8(((Z)(1methyl246trioxo13diazinan5ylidene)methyl)amino)3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
InChI=1SC27H25N7O6c13222(36)18(21(35)2926(32)40)132816781915(1116)1227(23(37)3025(39)3124(27)38)201433(91034(19)20)175324617h2811132028H9101214H21H3(H293540)(H23031373839)b1813
MFCD07211594
OC1=NC(=O)C2(C(=N1)O)Cc1cc(NC=C3C(=NC(=O)N(C3=O)C)O)ccc1N1C2CN(CC1)c1ccccc1
ZINC000097968361
ZINC000097968362
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