Vitas-M small molecule compound
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 3-(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK290272
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C(C1)c1ccccc1)OCC(=O)c1ccc(cc1)Oc1ccc(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 C36H28N2O8 MW 616.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28N2O8/c39-31(22-9-13-27(14-10-22)46-28-15-11-25(12-16-28)38(43)44)20-45-36(42)23-7-4-8-26(17-23)37-34(40)32-24-18-29(21-5-2-1-3-6-21)30(19-24)33(32)35(37)41/h1-17,24,29-30,32-33H,18-20H2InChIKey
OBXHCNWPQHUSOZ-UHFFFAOYSA-NSynonyms
2(4(4nitrophenoxy)phenyl)2oxoethyl3(13dioxo5phenyloctahydro2H47methanoisoindol2yl)benzoate
C1C2CC(C1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)(N+)(=O)(O))C7=CC=CC=C7
InChI=1SC36H28N2O8c3931(2291327(141022)4628151125(121628)38(43)44)204536(42)2374826(1723)3734(40)32241829(215213621)30(1924)33(32)35(37)41h1172429303233H1820H2
MFCD06127736
O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C(C1)c1ccccc1)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000102661702
ZINC000239377551
Check stock
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Check stock on Vitas-MAvailable files
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