Vitas-M small molecule compound
3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
Catalog ID
STL426654
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=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 C16H12F3NO6 MW 371.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3NO6/c1-2-25-14-7-9(15(21)22)3-5-13(14)26-12-6-4-10(16(17,18)19)8-11(12)20(23)24/h3-8H,2H2,1H3,(H,21,22)InChIKey
GDDLMBFNVVTHSN-UHFFFAOYSA-NSynonyms
1004687-97-11004687971
3ethoxy4(2nitro4(trifluoromethyl)phenoxy)benzoicacid
CCOC1=C(C=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C(=O)O
InChI=1SC16H12F3NO6c12251479(15(21)22)3513(14)26126410(16(1718)19)811(12)20(23)24h38H2H21H3(H2122)
MFCD29036265
ZINC000007604187
ZINC7604187
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