Vitas-M small molecule compound

N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

Catalog ID
STK679677
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)Nc1cc(ccc1Oc1ccc(cc1)F)C(F)(F)F

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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 C28H17F7N2O6 MW 610.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H17F7N2O6/c1-41-25-12-15(2-9-24(25)43-23-11-4-17(28(33,34)35)14-21(23)37(39)40)26(38)36-20-13-16(27(30,31)32)3-10-22(20)42-19-7-5-18(29)6-8-19/h2-14H,1H3,(H,36,38)
InChIKey
UIPRVOHKUAQBMO-UHFFFAOYSA-N
Synonyms

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)F)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C(=O)Nc1cc(ccc1Oc1ccc(cc1)F)C(F)(F)F
InChI=1SC28H17F7N2O6c141251215(2924(25)432311417(28(3334)35)1421(23)37(39)40)26(38)36201316(27(3031)32)31022(20)42197518(29)6819h214H1H3(H3638)
MFCD03764169
N(2(4fluorophenoxy)5(trifluoromethyl)phenyl)3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzamide
ZINC000098005101
ZINC98005101

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.