Vitas-M small molecule compound

2-[3-(2-methylphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

Catalog ID
STK311821
SMILES O=C1C2C3CCC(C2C(=O)N1c1cc(cc(c1)[N+](=O)[O-])Oc1ccccc1C)O3

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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-11-4-2-3-5-15(11)28-14-9-12(8-13(10-14)23(26)27)22-20(24)18-16-6-7-17(29-16)19(18)21(22)25/h2-5,8-10,16-19H,6-7H2,1H3
InChIKey
KABZEXOEDWBXCZ-UHFFFAOYSA-N
Synonyms
1052580-27-4
1052580274
2(3(2methylphenoxy)5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3(2methylphenoxy)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=CC=CC=C1OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5
InChI=1SC21H18N2O6c111423515(11)2814912(813(1014)23(26)27)2220(24)18166717(2916)19(18)21(22)25h258101619H67H21H3
MFCD04140122
O=C1C2C3CCC(C2C(=O)N1c1cc(cc(c1)(N+)(=O)(O))Oc1ccccc1C)O3
ZINC000226739818
ZINC000239125155

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Available files

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