Vitas-M small molecule compound
4-nitrophenyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK274746
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccc(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/c25-20-18-12-4-5-13(10-12)19(18)21(26)23(20)16-3-1-2-14(11-16)22(27)30-17-8-6-15(7-9-17)24(28)29/h1-3,6-9,11-13,18-19H,4-5,10H2InChIKey
STNSAEWQUNQUCE-UHFFFAOYSA-NSynonyms
4nitrophenyl3(13dioxooctahydro2H47methanoisoindol2yl)benzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H18N2O6c252018124513(1012)19(18)21(26)23(20)1631214(1116)22(27)30178615(7917)24(28)29h136911131819H4510H2
MFCD03165095
O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000100916660
ZINC000239412487
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