Vitas-M small molecule compound
3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Catalog ID
STK678565
SMILES O=C(C(C(F)(F)F)C(F)(F)F)Oc1ccc(c(c1)Oc1ccc(cc1Cl)C(F)(F)F)[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 C17H7ClF9NO5 MW 511.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7ClF9NO5/c18-9-5-7(15(19,20)21)1-4-11(9)33-12-6-8(2-3-10(12)28(30)31)32-14(29)13(16(22,23)24)17(25,26)27/h1-6,13HInChIKey
WMLRPDVASNOYTQ-UHFFFAOYSA-NSynonyms
(3(2CHLORO4(TRIFLUOROMETHYL)PHENOXY)4NITROPHENYL)333TRIFLUORO2(TRIFLUOROMETHYL)PROPANOATE
3(2chloro4(trifluoromethyl)phenoxy)4nitrophenyl333trifluoro2(trifluoromethyl)propanoate
C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=C(C=CC(=C2)OC(=O)C(C(F)(F)F)C(F)(F)F)(N+)(=O)(O)
InChI=1SC17H7ClF9NO5c18957(15(1920)21)1411(9)331268(2310(12)28(30)31)3214(29)13(16(2223)24)17(2526)27h1613H
MFCD03133750
O=C(C(C(F)(F)F)C(F)(F)F)Oc1ccc(c(c1)Oc1ccc(cc1Cl)C(F)(F)F)(N+)(=O)(O)
ZINC000098003734
ZINC98003734
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