Vitas-M small molecule compound
6,8-dichloro-N-(4-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Catalog ID
STK781042
SMILES COc1ccc(cc1)NC(=O)c1cc(cc2c1C=Cc1c(O2)c(Cl)cc(c1)Cl)[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 C22H14Cl2N2O5 MW 457.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O5/c1-30-16-5-3-14(4-6-16)25-22(27)18-10-15(26(28)29)11-20-17(18)7-2-12-8-13(23)9-19(24)21(12)31-20/h2-11H,1H3,(H,25,27)InChIKey
CKVLKZFQJFSZAG-UHFFFAOYSA-NSynonyms
13DICHLORON(4METHOXYPHENYL)9NITROBENZO(B)(1)BENZOXEPINE7CARBOXAMIDE
68dichloroN(4methoxyphenyl)3nitrodibenzo(bf)oxepine1carboxamide
COC1=CC=C(C=C1)NC(=O)C2=CC(=CC3=C2C=CC4=CC(=CC(=C4O3)Cl)Cl)(N+)(=O)(O)
COc1ccc(cc1)NC(=O)c1cc(cc2c1C=Cc1c(O2)c(Cl)cc(c1)Cl)(N+)(=O)(O)
InChI=1SC22H14Cl2N2O5c130165314(4616)2522(27)181015(26(28)29)112017(18)7212813(23)919(24)21(12)3120h211H1H3(H2527)
MFCD06014239
ZINC000012420971
ZINC12420971
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