Vitas-M small molecule compound
3-(ethoxycarbonyl)-5-(methylcarbamoyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid
Catalog ID
STK581554
SMILES CCOC(=O)N1CCN2C(C1)C(Cc1c2ccc(c1)[N+](=O)[O-])(C(=O)O)C(=O)NC
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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 C18H22N4O7 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O7/c1-3-29-17(26)20-6-7-21-13-5-4-12(22(27)28)8-11(13)9-18(16(24)25,14(21)10-20)15(23)19-2/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,24,25)InChIKey
IGNXNFFZFIXBJZ-UHFFFAOYSA-NSynonyms
879767-63-23(ethoxycarbonyl)5(methylcarbamoyl)8nitro2344a56hexahydro1Hpyrazino(12a)quinoline5carboxylicacid
3ethoxycarbonyl5(methylcarbamoyl)8nitro244a6tetrahydro1Hpyrazino(12a)quinoline5carboxylicacid
879767632
CCOC(=O)N1CCN2C(C1)C(Cc1c2ccc(c1)(N+)(=O)(O))(C(=O)O)C(=O)NC
CCOC(=O)N1CCN2C(C1)C(CC3=C2C=CC(=C3)(N+)(=O)(O))(C(=O)NC)C(=O)O
InChI=1SC18H22N4O7c132917(26)206721135412(22(27)28)811(13)918(16(24)2514(21)1020)15(23)192h45814H367910H212H3(H1923)(H2425)
MFCD07639954
ZINC000008997206
ZINC000245325963
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