Vitas-M small molecule compound
2-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311524
SMILES Cc1cc(Oc2cc(cc(c2)N2C(=O)C3C(C2=O)C2OC3CC2)[N+](=O)[O-])c(c(c1)C)C
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-11-6-12(2)13(3)19(7-11)30-16-9-14(8-15(10-16)25(28)29)24-22(26)20-17-4-5-18(31-17)21(20)23(24)27/h6-10,17-18,20-21H,4-5H2,1-3H3InChIKey
WFXIMDQQONVABX-UHFFFAOYSA-NSynonyms
1052568-02-11052568021
2(3nitro5(235trimethylphenoxy)phenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3nitro5(235trimethylphenoxy)phenyl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5)C)C
Cc1cc(Oc2cc(cc(c2)N2C(=O)C3C(C2=O)C2OC3CC2)(N+)(=O)(O))c(c(c1)C)C
InChI=1SC23H22N2O6c111612(2)13(3)19(711)3016914(815(1016)25(28)29)2422(26)20174518(3117)21(20)23(24)27h61017182021H45H213H3
MFCD04138123
ZINC000103155236
ZINC000103155241
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