Vitas-M small molecule compound
1-(3-methoxyphenoxy)-3-nitrodibenzo[b,f]oxepine
Catalog ID
STK769108
SMILES COc1cccc(c1)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 C21H15NO5 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO5/c1-25-16-6-4-7-17(13-16)26-20-11-15(22(23)24)12-21-18(20)10-9-14-5-2-3-8-19(14)27-21/h2-13H,1H3InChIKey
KSAPYCCJCNCZGO-UHFFFAOYSA-NSynonyms
1(3METHOXYPHENOXY)3NITRODIBENZO(BF)OXEPIN
1(3methoxyphenoxy)3nitrodibenzo(bf)oxepine
4(3METHOXYPHENOXY)2NITROBENZO(B)(1)BENZOXEPINE
COC1=CC=CC(=C1)OC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)(N+)(=O)(O)
COc1cccc(c1)Oc1cc(cc2c1C=Cc1c(O2)cccc1)(N+)(=O)(O)
InChI=1SC21H15NO5c1251664717(1316)26201115(22(23)24)122118(20)10914523819(14)2721h213H1H3
MFCD03408455
ZINC000002601167
ZINC02601167
ZINC2601167
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