Vitas-M small molecule compound
2,2-dimethyl-5-({5-[4-(morpholin-4-yl)-3-nitrophenyl]furan-2-yl}methylidene)-1,3-dioxane-4,6-dione
Catalog ID
STL386468
SMILES O=C1OC(C)(C)OC(=O)C1=Cc1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C21H20N2O8 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O8/c1-21(2)30-19(24)15(20(25)31-21)12-14-4-6-18(29-14)13-3-5-16(17(11-13)23(26)27)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3InChIKey
HXSZJSBQYUUHMK-UHFFFAOYSA-NSynonyms
22dimethyl5((5(4(morpholin4yl)3nitrophenyl)furan2yl)methylidene)13dioxane46dione
22DIMETHYL5((5(4MORPHOLIN4YL3NITROPHENYL)(2FURYL))METHYLENE)13DIOXANE46DIONE
22dimethyl5((5(4morpholin4yl3nitrophenyl)furan2yl)methylidene)13dioxane46dione
CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O))C(=O)O1)C
InChI=1SC21H20N2O8c121(2)3019(24)15(20(25)3121)12144618(2914)133516(17(1113)23(26)27)22792810822h361112H710H212H3
MFCD04231481
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
ZINC000016605337
ZINC16605337
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