Vitas-M small molecule compound
(4aR,8aS)-1,4-bis[(4-nitrobenzyl)oxy]octahydroquinoxaline-2,3-dione
Catalog ID
STK533287
SMILES O=C1N(OCc2ccc(cc2)[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N(C1=O)OCc1ccc(cc1)[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 C22H22N4O8 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O8/c27-21-22(28)24(34-14-16-7-11-18(12-8-16)26(31)32)20-4-2-1-3-19(20)23(21)33-13-15-5-9-17(10-6-15)25(29)30/h5-12,19-20H,1-4,13-14H2/t19-,20+InChIKey
MYSNTEKOKCVEEQ-BGYRXZFFSA-NSynonyms
(4aR8aS)14bis((4nitrobenzyl)oxy)octahydroquinoxaline23dione
(4aS8aR)14bis((4nitrophenyl)methoxy)4a56788ahexahydroquinoxaline23dione
C1CCC2C(C1)N(C(=O)C(=O)N2OCC3=CC=C(C=C3)(N+)(=O)(O))OCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H22N4O8c272122(28)24(34141671118(12816)26(31)32)20421319(20)23(21)3313155917(10615)25(29)30h5121920H141314H2t1920+
O=C1N(OCc2ccc(cc2)(N+)(=O)(O))(C@@H)2CCCC(C@@H)2N(C1=O)OCc1ccc(cc1)(N+)(=O)(O)
ZINC000013809957
ZINC13809957
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