Vitas-M small molecule compound
(5Z)-5-{[(3-benzyl-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
STK592596
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(N/C=C/3\C(=O)NC(=O)N=C3O)ccc1N1C2CN(CC1)Cc1ccccc1
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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/c35-21-18(22(36)30-25(39)29-21)12-28-17-6-7-19-16(10-17)11-27(23(37)31-26(40)32-24(27)38)20-14-33(8-9-34(19)20)13-15-4-2-1-3-5-15/h1-7,10,12,20,28H,8-9,11,13-14H2,(H2,29,30,35,36,39)(H2,31,32,37,38,40)InChIKey
SCXVTBXHDWHGSY-UHFFFAOYSA-NSynonyms
(5Z)5(((3benzyl26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
3benzyl8((246trioxo13diazinan5ylidene)methylamino)spiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
C1CN2C(CN1CC3=CC=CC=C3)C4(CC5=C2C=CC(=C5)NC=C6C(=O)NC(=O)NC6=O)C(=O)NC(=O)NC4=O
InChI=1SC27H25N7O6c352118(22(36)3025(39)2921)122817671916(1017)1127(23(37)3126(40)3224(27)38)201433(8934(19)20)13154213515h1710122028H89111314H2(H22930353639)(H23132373840)
MFCD07209640
OC1=NC(=O)C2(C(=N1)O)Cc1cc(NC=C3C(=O)NC(=O)N=C3O)ccc1N1C2CN(CC1)Cc1ccccc1
ZINC000101326211
ZINC000107942583
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.