Vitas-M small molecule compound
methyl N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
Catalog ID
STL000460
SMILES COC(=O)C(C(F)(F)F)(Oc1ccc(cc1)F)NC(=O)Nc1cc(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 C18H12ClF7N2O4 MW 488.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF7N2O4/c1-31-14(29)16(18(24,25)26,32-11-5-3-10(20)4-6-11)28-15(30)27-13-8-9(17(21,22)23)2-7-12(13)19/h2-8H,1H3,(H2,27,28,30)InChIKey
XMJCAOYLNIHUNB-UHFFFAOYSA-NSynonyms
340030-15-1340030151
COC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC2=CC=C(C=C2)F
InChI=1SC18H12ClF7N2O4c13114(29)16(18(2425)2632115310(20)4611)2815(30)271389(17(2122)23)2712(13)19h28H1H3(H2272830)
METHYL2((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)333TRIFLUORO2(4FLUOROPHENOXY)PROPANOATE
methyl2(3(2chloro5(trifluoromethyl)phenyl)ureido)333trifluoro2(4fluorophenoxy)propanoate
methylN((2chloro5(trifluoromethyl)phenyl)carbamoyl)333trifluoro2(4fluorophenoxy)alaninate
MFCD00788997
ZINC000002413984
ZINC000002413985
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