Vitas-M small molecule compound
7'-[(E)-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK577116
SMILES CCCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/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 C26H29N5O6 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O6/c1-4-5-10-31-21(33)17(20(32)27-24(31)36)13-15-8-9-18-16(12-15)14-26(19-7-6-11-30(18)19)22(34)28(2)25(37)29(3)23(26)35/h8-9,12-13,19H,4-7,10-11,14H2,1-3H3,(H,27,32,36)/b17-13+InChIKey
HJZLKJKFWOLQLS-GHRIWEEISA-NSynonyms
892614-23-27((E)(1butyl246trioxo13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
7((E)(1butyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
892614232
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)O
InChI=1SC26H29N5O6c145103121(33)17(20(32)2724(31)36)1315891816(1215)1426(19761130(18)19)22(34)28(2)25(37)29(3)23(26)35h89121319H47101114H213H3(H273236)b1713+
MFCD07205208
ZINC000009089669
ZINC000095483879
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.