Vitas-M small molecule compound
3'-ethyl-6'-hydroxy-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Catalog ID
STK628338
SMILES CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2COCC1)[N+](=O)[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 C17H18N4O6 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6/c1-2-19-15(23)17(14(22)18-16(19)24)8-10-7-11(21(25)26)3-4-12(10)20-5-6-27-9-13(17)20/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,18,22,24)InChIKey
FDRQYFWLVXZCSM-UHFFFAOYSA-NSynonyms
1ethyl8nitrospiro(13diazinane55244a6tetrahydro1H(14)oxazino(43a)quinoline)246trione
3ethyl6hydroxy8nitro1244atetrahydro2H6Hspiro(14oxazino(43a)quinoline55pyrimidine)24(3H)dione
CCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2COCC4)C(=O)NC1=O
CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2COCC1)(N+)(=O)(O))O
InChI=1SC17H18N4O6c121915(23)17(14(22)1816(19)24)810711(21(25)26)3412(10)205627913(17)20h34713H25689H21H3(H182224)
MFCD09789431
ZINC000009423222
ZINC000229830384
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