Vitas-M small molecule compound
3-(4-nitrophenoxy)phenyl 4-methyl-3-nitrobenzoate
Catalog ID
STK247606
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Oc1cccc(c1)Oc1ccc(cc1)[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 C20H14N2O7 MW 394.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O7/c1-13-5-6-14(11-19(13)22(26)27)20(23)29-18-4-2-3-17(12-18)28-16-9-7-15(8-10-16)21(24)25/h2-12H,1H3InChIKey
ADHAPKSMRYSFOO-UHFFFAOYSA-NSynonyms
(3(4NITROPHENOXY)PHENYL)4METHYL3NITROBENZOATE
3(4nitrophenoxy)phenyl4methyl3nitrobenzoate
CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)OC3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H14N2O7c1135614(1119(13)22(26)27)20(23)291842317(1218)28169715(81016)21(24)25h212H1H3
MFCD02068149
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Oc1cccc(c1)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000005942736
ZINC05942736
ZINC5942736
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