Vitas-M small molecule compound
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)benzoic acid
Catalog ID
STK663448
SMILES [O-][N+](=O)c1cc(ccc1N1CC2(CC1CC(C2)(C)C)C)C(=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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-16(2)7-12-8-17(3,9-16)10-18(12)13-5-4-11(15(20)21)6-14(13)19(22)23/h4-6,12H,7-10H2,1-3H3,(H,20,21)InChIKey
KYQBVAJBHJTDDX-UHFFFAOYSA-NSynonyms
447413-51-6(O)(N+)(=O)c1cc(ccc1N1CC2(CC1CC(C2)(C)C)C)C(=O)O
3nitro4(133trimethyl6azabicyclo(321)oct6yl)benzoicacid
3NITRO4(335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)BENZOICACID
447413516
BENZOICACID3NITRO4(133TRIMETHYL6AZABICYCLO(321)OCT6YL)
CC1(CC2CC(C1)(CN2C3=C(C=C(C=C3)C(=O)O)(N+)(=O)(O))C)C
InChI=1SC17H22N2O4c116(2)712817(3916)1018(12)135411(15(20)21)614(13)19(22)23h4612H710H213H3(H2021)
MFCD02934456
ZINC000100019471
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