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8-[(E)-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Catalog ID
STK584781
SMILES CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)/C1=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 C27H32N6O6 MW 536.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O6/c1-5-6-9-33-22(35)18(21(34)28-25(33)38)13-16-7-8-19-17(12-16)14-27(20-15-29(2)10-11-32(19)20)23(36)30(3)26(39)31(4)24(27)37/h7-8,12-13,20H,5-6,9-11,14-15H2,1-4H3,(H,28,34,38)/b18-13+
InChIKey
HIAKTWYIOJPKGI-QGOAFFKASA-N
Synonyms

(E)8((1butyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)133trimethyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trionehydrochloride
8((E)(1butyl246trioxo13diazinan5ylidene)methyl)133trimethylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
8((E)(1butyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)133trimethyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C)C(=O)NC1=O
CCCCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)C1=O
CCCCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)C1=OCl
InChI=1SC27H32N6O6c15693322(35)18(21(34)2825(33)38)1316781917(1216)1427(201529(2)101132(19)20)23(36)30(3)26(39)31(4)24(27)37h78121320H569111415H214H3(H283438)b1813+
MFCD06788332
ZINC000097968078
ZINC000097968079

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Available files

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