Vitas-M small molecule compound
3-nitrodibenzo[b,f]oxepine-1-carboxylic acid
Catalog ID
STK684497
SMILES OC(=O)c1cc(cc2c1C=Cc1c(O2)cccc1)[N+](=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 C15H9NO5 MW 283.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9NO5/c17-15(18)12-7-10(16(19)20)8-14-11(12)6-5-9-3-1-2-4-13(9)21-14/h1-8H,(H,17,18)InChIKey
SPYMAOCSDJMUJW-UHFFFAOYSA-NSynonyms
696620-16-32NITROBENZO(B)(1)BENZOXEPINE4CARBOXYLICACID
3NITRODIBENZO(BF)OXEPINCARBOXYLICACID
3nitrodibenzo(bf)oxepine1carboxylicacid
696620163
C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)O)(N+)(=O)(O)
InChI=1SC15H9NO5c1715(18)12710(16(19)20)81411(12)659312413(9)2114h18H(H1718)
MFCD05664582
OC(=O)c1cc(cc2c1C=Cc1c(O2)cccc1)(N+)(=O)(O)
ZINC000004342846
ZINC4342846
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