Vitas-M small molecule compound
ethyl 3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)-N-{[4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoyl}alaninate
Catalog ID
STK377964
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OC)O)OCC(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 C18H17F9N2O7 MW 544.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F9N2O7/c1-3-35-12(31)16(18(25,26)27,36-8-14(19,20)21)29-13(32)28-10-6-4-9(5-7-10)15(33,11(30)34-2)17(22,23)24/h4-7,33H,3,8H2,1-2H3,(H2,28,29,32)InChIKey
JTFFPXJAZUTLAR-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)OCC(F)(F)F
ethyl333trifluoro2(222trifluoroethoxy)N((4(111trifluoro2hydroxy3methoxy3oxopropan2yl)phenyl)carbamoyl)alaninate
ETHYL333TRIFLUORO2(222TRIFLUOROETHOXY)N((4(222TRIFLUORO1HYDROXY1(METHOXYCARBONYL)ETHYL)PHENYL)CARBAMOYL)ALANINATE
InChI=1SC18H17F9N2O7c133512(31)16(18(2526)2736814(1920)21)2913(32)2810649(5710)15(3311(30)342)17(2223)24h4733H38H212H3(H2282932)
METHYL2(4((3ETHOXY111TRIFLUORO3OXO2(222TRIFLUOROETHOXY)PROPAN2YL)CARBAMOYLAMINO)PHENYL)333TRIFLUORO2HYDROXYPROPANOATE
MFCD01655579
ZINC000100228612
ZINC000100228619
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