Vitas-M small molecule compound
ethyl 4'-hydroxy-8-nitro-2',6'-dioxo-1'-(2-phenylethyl)-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STK584389
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)CCc1ccccc1)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 C26H27N5O7 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O7/c1-2-38-25(35)28-12-13-29-20-9-8-19(31(36)37)14-18(20)15-26(21(29)16-28)22(32)27-24(34)30(23(26)33)11-10-17-6-4-3-5-7-17/h3-9,14,21H,2,10-13,15-16H2,1H3,(H,27,32,34)InChIKey
YYTLXAPXOGQRFR-UHFFFAOYSA-NSynonyms
896674-37-6896674376
CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=O)N(C1=O)CCc1ccccc1)O
ethyl4hydroxy8nitro26dioxo1(2phenylethyl)11244a6hexahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
MFCD07198105
ZINC000009429852
ZINC000245329441
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