Vitas-M small molecule compound
5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Catalog ID
STK679966
SMILES O=C(C(C(F)(F)F)C(F)(F)F)Oc1cc(ccc1[N+](=O)[O-])Oc1cc(ccc1Cl)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 C17H7ClF9NO5 MW 511.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7ClF9NO5/c18-9-3-1-7(15(19,20)21)5-11(9)32-8-2-4-10(28(30)31)12(6-8)33-14(29)13(16(22,23)24)17(25,26)27/h1-6,13HInChIKey
BKBCMCNBMJBDMS-UHFFFAOYSA-NSynonyms
(5(2CHLORO5(TRIFLUOROMETHYL)PHENOXY)2NITROPHENYL)333TRIFLUORO2(TRIFLUOROMETHYL)PROPANOATE
5(2chloro5(trifluoromethyl)phenoxy)2nitrophenyl333trifluoro2(trifluoromethyl)propanoate
C1=CC(=C(C=C1C(F)(F)F)OC2=CC(=C(C=C2)(N+)(=O)(O))OC(=O)C(C(F)(F)F)C(F)(F)F)Cl
InChI=1SC17H7ClF9NO5c189317(15(1920)21)511(9)3282410(28(30)31)12(68)3314(29)13(16(2223)24)17(2526)27h1613H
MFCD03766543
O=C(C(C(F)(F)F)C(F)(F)F)Oc1cc(ccc1(N+)(=O)(O))Oc1cc(ccc1Cl)C(F)(F)F
ZINC000098005125
ZINC98005125
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