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1,3-dimethyl-7'-({(E)-[1-(4-methylpentyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-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
STK578699
SMILES CC(CCCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)C

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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 C28H34N6O6 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6O6/c1-16(2)7-5-12-34-23(36)19(22(35)30-26(34)39)15-29-18-9-10-20-17(13-18)14-28(21-8-6-11-33(20)21)24(37)31(3)27(40)32(4)25(28)38/h9-10,13,15-16,21,29H,5-8,11-12,14H2,1-4H3,(H,30,35,39)/b19-15+
InChIKey
LLEIBPHFJHVUFK-XDJHFCHBSA-N
Synonyms

(E)13dimethyl7(((1(4methylpentyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
13dimethyl7(((E)(1(4methylpentyl)246trioxo13diazinan5ylidene)methyl)amino)spiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
13dimethyl7(((E)(1(4methylpentyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
CC(C)CCCN1C(=O)C(=CNC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=O
CC(CCCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)C
InChI=1SC28H34N6O6c116(2)75123423(36)19(22(35)3026(34)39)1529189102017(1318)1428(21861133(20)21)24(37)31(3)27(40)32(4)25(28)38h9101315162129H58111214H214H3(H303539)b1915+
MFCD07639229
ZINC000101375006
ZINC000101375009

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Available files

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