Vitas-M small molecule compound
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK388916
SMILES O=C1N(c2cccc(c2)C(=O)OCC(=O)c2ccc(cc2)Oc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C2C1C2
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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 C32H24N2O8 MW 564.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24N2O8/c35-27(17-4-8-21(9-5-17)42-22-10-6-19(7-11-22)34(39)40)16-41-32(38)18-2-1-3-20(14-18)33-30(36)28-23-12-13-24(26-15-25(23)26)29(28)31(33)37/h1-14,23-26,28-29H,15-16H2InChIKey
IBFFTUIKNDZGRC-UHFFFAOYSA-NSynonyms
1022639-48-01022639480
2(4(4nitrophenoxy)phenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)OCC(=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC32H24N2O8c3527(174821(9517)422210619(71122)34(39)40)164132(38)1821320(1418)3330(36)2823121324(261525(23)26)29(28)31(33)37h11423262829H1516H2
MFCD02314559
O=C1N(c2cccc(c2)C(=O)OCC(=O)c2ccc(cc2)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C2C1C2
ZINC000239105221
ZINC000239105224
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