Vitas-M small molecule compound

1'-methyl-8-nitro-3'-propyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Catalog ID
STK780345
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2COCC1)[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 C19H22N4O6 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O6/c1-3-6-22-17(25)19(16(24)20(2)18(22)26)10-12-9-13(23(27)28)4-5-14(12)21-7-8-29-11-15(19)21/h4-5,9,15H,3,6-8,10-11H2,1-2H3
InChIKey
XKVUAVZNYHLHFR-UHFFFAOYSA-N
Synonyms

1methyl8nitro3propyl1244atetrahydro2H6Hspiro(14oxazino(43a)quinoline55pyrimidine)246(1H3H)trione
1methyl8nitro3propylspiro(13diazinane55244a6tetrahydro1H(14)oxazino(43a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2COCC4)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2COCC1)(N+)(=O)(O)
InChI=1SC19H22N4O6c1362217(25)19(16(24)20(2)18(22)26)1012913(23(27)28)4514(12)2178291115(19)21h45915H3681011H212H3
MFCD05860236
ZINC000004622439
ZINC000230038914

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Available files

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