Vitas-M small molecule compound
2-[3-(4-methoxyphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK312054
SMILES COc1ccc(cc1)Oc1cc(cc(c1)N1C(=O)C2C(C1=O)C1OC2CC1)[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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-28-13-2-4-14(5-3-13)29-15-9-11(8-12(10-15)23(26)27)22-20(24)18-16-6-7-17(30-16)19(18)21(22)25/h2-5,8-10,16-19H,6-7H2,1H3InChIKey
XNGUJDZEBTVAIX-UHFFFAOYSA-NSynonyms
1052585-56-41052585564
2(3(4methoxyphenoxy)5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3(4methoxyphenoxy)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
COC1=CC=C(C=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5
COc1ccc(cc1)Oc1cc(cc(c1)N1C(=O)C2C(C1=O)C1OC2CC1)(N+)(=O)(O)
InChI=1SC21H18N2O7c128132414(5313)2915911(812(1015)23(26)27)2220(24)18166717(3016)19(18)21(22)25h258101619H67H21H3
MFCD04140712
ZINC000103149258
ZINC000103149262
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