Vitas-M small molecule compound
1-(2,4-dichlorophenoxy)-3-nitrodibenzo[b,f]oxepine
Catalog ID
STK770460
SMILES Clc1ccc(c(c1)Cl)Oc1cc(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 C20H11Cl2NO4 MW 400.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11Cl2NO4/c21-13-6-8-18(16(22)9-13)27-20-11-14(23(24)25)10-19-15(20)7-5-12-3-1-2-4-17(12)26-19/h1-11HInChIKey
OEEKREBTSKNLIX-UHFFFAOYSA-NSynonyms
1(24DICHLOROPHENOXY)3NITRODIBENZO(BF)OXEPIN
1(24dichlorophenoxy)3nitrodibenzo(bf)oxepine
4(24DICHLOROPHENOXY)2NITROBENZO(B)(1)BENZOXEPINE
C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3OC4=C(C=C(C=C4)Cl)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)Oc1cc(cc2c1C=Cc1c(O2)cccc1)(N+)(=O)(O)
InChI=1SC20H11Cl2NO4c21136818(16(22)913)27201114(23(24)25)101915(20)7512312417(12)2619h111H
MFCD03766190
ZINC000004594577
ZINC04594577
ZINC4594577
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