Vitas-M small molecule compound
ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STK578517
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=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 C18H19N5O7 MW 417.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O7/c1-2-30-17(27)21-5-6-22-12-4-3-11(23(28)29)7-10(12)8-18(13(22)9-21)14(24)19-16(26)20-15(18)25/h3-4,7,13H,2,5-6,8-9H2,1H3,(H2,19,20,24,25,26)InChIKey
CBZFVBWEOFIKJM-UHFFFAOYSA-NSynonyms
896673-76-0896673760
CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=NC1=O)O)O
CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)NC3=O
ethyl26dihydroxy8nitro4oxo1244atetrahydro3H4H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
ethyl8nitro246trioxospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carboxylate
InChI=1SC18H19N5O7c123017(27)215622124311(23(28)29)710(12)818(13(22)921)14(24)1916(26)2015(18)25h34713H25689H21H3(H21920242526)
MFCD07197619
ZINC000009446763
ZINC000016956673
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