Vitas-M small molecule compound
4-(9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl 4-nitrobenzoate
Catalog ID
STK136066
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)c1c2cccc1
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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 C29H20N2O6 MW 492.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N2O6/c32-23-7-3-6-22-25(23)24(26-27(30-22)20-4-1-2-5-21(20)28(26)33)16-10-14-19(15-11-16)37-29(34)17-8-12-18(13-9-17)31(35)36/h1-2,4-5,8-15,24,30H,3,6-7H2InChIKey
CLEFBRWOUPPWTB-UHFFFAOYSA-NSynonyms
(4(911dioxo67810tetrahydro5Hindeno(12b)quinolin10yl)phenyl)4nitrobenzoate
4(911dioxo67891011hexahydro5Hindeno(12b)quinolin10yl)phenyl4nitrobenzoate
C1CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)(N+)(=O)(O))C(=O)C1
InChI=1SC29H20N2O6c32237362225(23)24(2627(3022)20412521(20)28(26)33)16101419(151116)3729(34)1781218(13917)31(35)36h12458152430H367H2
MFCD03141708
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)c1c2cccc1
ZINC000009851110
ZINC000018179315
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