Vitas-M small molecule compound
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 3-nitrobenzoate
Catalog ID
STK269002
SMILES O=C1N(c2cccc(c2)OC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1CCC2C1
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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 C22H18N2O6 MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6/c25-20-18-12-7-8-13(9-12)19(18)21(26)23(20)15-4-2-6-17(11-15)30-22(27)14-3-1-5-16(10-14)24(28)29/h1-6,10-13,18-19H,7-9H2InChIKey
LXJDECQUUSHPCJ-UHFFFAOYSA-NSynonyms
3((3aR4S7R7aS)13dioxohexahydro1H47methanoisoindol2(3H)yl)phenyl3nitrobenzoate
3(13dioxooctahydro2H47methanoisoindol2yl)phenyl3nitrobenzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H18N2O6c252018127813(912)19(18)21(26)23(20)1542617(1115)3022(27)1431516(1014)24(28)29h1610131819H79H2
MFCD01798714
O=C1N(c2cccc(c2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@H)1CC(C@@H)2C1
O=C1N(c2cccc(c2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000100744067
ZINC000239339261
Check stock
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