Vitas-M small molecule compound
1'-methyl-8-nitro-3-(phenylcarbonyl)-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
STK780346
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)C(=O)c1ccccc1)[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 C26H27N5O6 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O6/c1-3-11-30-24(34)26(23(33)27(2)25(30)35)15-18-14-19(31(36)37)9-10-20(18)29-13-12-28(16-21(26)29)22(32)17-7-5-4-6-8-17/h4-10,14,21H,3,11-13,15-16H2,1-2H3InChIKey
GLBFDRDMBPYRDJ-UHFFFAOYSA-NSynonyms
1methyl8nitro3(phenylcarbonyl)3propyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzoyl1methyl8nitro3propylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C(=O)C5=CC=CC=C5)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC26H27N5O6c13113024(34)26(23(33)27(2)25(30)35)15181419(31(36)37)91020(18)29131228(1621(26)29)22(32)177546817h4101421H311131516H212H3
MFCD05860238
ZINC000012411102
ZINC000230038926
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