Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)

Catalog ID
STK268477
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1c3ccccc3C2c2c1cccc2

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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 C33H22N2O7 MW 558.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22N2O7/c36-26(19-6-5-7-21(16-19)35(40)41)17-42-33(39)18-12-14-20(15-13-18)34-31(37)29-27-22-8-1-2-9-23(22)28(30(29)32(34)38)25-11-4-3-10-24(25)27/h1-16,27-30H,17H2
InChIKey
LGNQBHJUSAEBFH-UHFFFAOYSA-N
Synonyms

2(3nitrophenyl)2oxoethyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)OCC(=O)C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC33H22N2O7c3626(1965721(1619)35(40)41)174233(39)18121420(151318)3431(37)292722812923(22)28(30(29)32(34)38)2511431024(25)27h1162730H17H2
MFCD01156513
O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1c3ccccc3C2c2c1cccc2
ZINC000000832729
ZINC000000832732
ZINC00832732

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Available files

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