Vitas-M small molecule compound
6,8-dichloro-3-nitrodibenzo[b,f]oxepine-1-carboxylate
Catalog ID
STK870370
SMILES Clc1cc(Cl)c2c(c1)C=Cc1c(O2)cc(cc1C(=O)[O-])[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 C15H6Cl2NO5 MW 351.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H7Cl2NO5/c16-8-3-7-1-2-10-11(15(19)20)5-9(18(21)22)6-13(10)23-14(7)12(17)4-8/h1-6H,(H,19,20)/p-1InChIKey
DTGNSKYBBXTPTK-UHFFFAOYSA-MSynonyms
13DICHLORO9NITROBENZO(B)(1)BENZOXEPINE7CARBOXYLATE
68DICHLORO3NITRODIBENZO(BF)OXEPINCARBOXYLICACID
68dichloro3nitrodibenzo(bf)oxepine1carboxylate
C1=CC2=C(C=C(C=C2C(=O)(O))(N+)(=O)(O))OC3=C(C=C(C=C31)Cl)Cl
Clc1cc(Cl)c2c(c1)C=Cc1c(O2)cc(cc1C(=O)(O))(N+)(=O)(O)
InChI=1SC15H7Cl2NO5c16837121011(15(19)20)59(18(21)22)613(10)2314(7)12(17)48h16H(H1920)p1
ZINC000001432625
ZINC01432625
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