Vitas-M small molecule compound

3-benzyl-1'-methyl-8-nitro-3'-propyl-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
STK686822
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)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 C26H29N5O5 MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O5/c1-3-11-30-24(33)26(23(32)27(2)25(30)34)15-19-14-20(31(35)36)9-10-21(19)29-13-12-28(17-22(26)29)16-18-7-5-4-6-8-18/h4-10,14,22H,3,11-13,15-17H2,1-2H3
InChIKey
GMYYKMJKKIUFBV-UHFFFAOYSA-N
Synonyms

3benzyl1methyl8nitro3propyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzyl1methyl8nitro3propylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)CC5=CC=CC=C5)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)(N+)(=O)(O)
InChI=1SC26H29N5O5c13113024(33)26(23(32)27(2)25(30)34)15191420(31(35)36)91021(19)29131228(1722(26)29)16187546818h4101422H311131517H212H3
MFCD06017820
ZINC000012411106
ZINC000230047976

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Available files

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