Vitas-M small molecule compound

3-benzyl-1',3'-dimethyl-8-nitro-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
STK782607
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)[N+](=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 C24H25N5O5 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O5/c1-25-21(30)24(22(31)26(2)23(25)32)13-17-12-18(29(33)34)8-9-19(17)28-11-10-27(15-20(24)28)14-16-6-4-3-5-7-16/h3-9,12,20H,10-11,13-15H2,1-2H3
InChIKey
YPKAFVXLYXTZST-UHFFFAOYSA-N
Synonyms
727366-99-6
3benzyl13dimethyl8nitro12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3benzyl13dimethyl8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzyl13dimethyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
727366996
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)CC5=CC=CC=C5)C(=O)N(C1=O)C
InChI=1SC24H25N5O5c12521(30)24(22(31)26(2)23(25)32)13171218(29(33)34)8919(17)28111027(1520(24)28)14166435716h391220H10111315H212H3
MFCD06017872
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)(N+)(=O)(O)
ZINC000019931811
ZINC000035851800

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Available files

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