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-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK596069
SMILES CCN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=NC(=O)N(C2=O)C(C)C)O)C(=NC(=NC1=O)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 C25H29N7O6 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O6/c1-4-30-7-8-31-17-6-5-15(26-11-16-19(33)27-24(38)32(13(2)3)20(16)34)9-14(17)10-25(18(31)12-30)21(35)28-23(37)29-22(25)36/h5-6,9,11,13,18,26H,4,7-8,10,12H2,1-3H3,(H,27,33,38)(H2,28,29,35,36,37)/b16-11-InChIKey
VSGSMMDZIPVATA-WJDWOHSUSA-NSynonyms
(5Z)5(((3ethyl26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxy3(propan2yl)pyrimidine24(3H5H)dione
CCN1CCN2C(C1)C1(Cc3c2ccc(c3)NC=C2C(=NC(=O)N(C2=O)C(C)C)O)C(=NC(=NC1=O)O)O
MFCD07202272
ZINC000016975690
ZINC000245328633
Check stock
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Check stock on Vitas-MAvailable files
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