Vitas-M small molecule compound
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK269001
SMILES O=C1N(c2cccc(c2)OC(=O)c2ccc(cc2)[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/c25-20-18-13-4-5-14(10-13)19(18)21(26)23(20)16-2-1-3-17(11-16)30-22(27)12-6-8-15(9-7-12)24(28)29/h1-3,6-9,11,13-14,18-19H,4-5,10H2InChIKey
GJCVLNBCDWBENC-UHFFFAOYSA-NSynonyms
3(13dioxooctahydro2H47methanoisoindol2yl)phenyl4nitrobenzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H18N2O6c252018134514(1013)19(18)21(26)23(20)1621317(1116)3022(27)126815(9712)24(28)29h13691113141819H4510H2
MFCD02067854
O=C1N(c2cccc(c2)OC(=O)c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000100744050
ZINC000239306048
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