Vitas-M small molecule compound

2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 4-(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK387095
SMILES O=C(c1ccc(cc1)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(22-8-14-27(15-9-22)46-28-16-12-26(13-17-28)38(43)44)20-45-36(42)23-6-10-25(11-7-23)37-34(40)32-24-18-29(21-4-2-1-3-5-21)30(19-24)33(32)35(37)41/h1-17,24,29-30,32-33H,18-20H2
InChIKey
LEJPFFYPVREWFB-UHFFFAOYSA-N
Synonyms

2(4(4nitrophenoxy)phenyl)2oxoethyl4(13dioxo5phenyloctahydro2H47methanoisoindol2yl)benzoate
C1C2CC(C1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)(N+)(=O)(O))C7=CC=CC=C7
InChI=1SC36H28N2O8c3931(2281427(15922)4628161226(131728)38(43)44)204536(42)2361025(11723)3734(40)32241829(214213521)30(1924)33(32)35(37)41h1172429303233H1820H2
MFCD04042388
O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C(C1)c1ccccc1)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000102099185
ZINC000239338757

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Available files

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