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-propylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK587443
SMILES CCCN1C(=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 C25H29N7O6 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O6/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/h5-6,10,12,18,26H,3-4,7-9,11,13H2,1-2H3,(H,27,33,38)(H2,28,29,35,36,37)/b16-12-InChIKey
VSAYHFMICGCAFN-VBKFSLOCSA-NSynonyms
(5Z)5(((3ethyl26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxy3propylpyrimidine24(3H5H)dione
3ethyl8(((Z)(246trioxo1propyl13diazinan5ylidene)methyl)amino)spiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C(=CNC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)CC)C(=O)NC1=O
CCCN1C(=O)N=C(C(=CNc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=NC(=NC2=O)O)O)C1=O)O
InChI=1SC25H29N7O6c1373220(34)16(19(33)2724(32)38)122615561714(1015)1125(21(35)2823(37)2922(25)36)181330(42)8931(17)18h5610121826H34791113H212H3(H273338)(H22829353637)b1612
MFCD07198431
ZINC000018082437
ZINC000035435270
Check stock
See real-time availability and sample size for STK587443 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.