Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-phenoxy-N-{[4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoyl}alaninate
Catalog ID
STK377917
SMILES COC(=O)C(C(F)(F)F)(Oc1ccccc1)NC(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OC)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 C21H18F6N2O7 MW 524.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F6N2O7/c1-34-15(30)18(33,20(22,23)24)12-8-10-13(11-9-12)28-17(32)29-19(16(31)35-2,21(25,26)27)36-14-6-4-3-5-7-14/h3-11,33H,1-2H3,(H2,28,29,32)InChIKey
NETNGUSNIYFLOC-UHFFFAOYSA-NSynonyms
COC(=O)C(C1=CC=C(C=C1)NC(=O)NC(C(=O)OC)(C(F)(F)F)OC2=CC=CC=C2)(C(F)(F)F)O
InChI=1SC21H18F6N2O7c13415(30)18(3320(2223)24)1281013(11912)2817(32)2919(16(31)35221(2526)27)36146435714h31133H12H3(H2282932)
METHYL333TRIFLUORO2HYDROXY2(4(((222TRIFLUORO1(METHOXYCARBONYL)1PHENOXYETHYL)AMINO)CARBONYLAMINO)PHENYL)PROPANOATE
METHYL333TRIFLUORO2HYDROXY2(4((111TRIFLUORO3METHOXY3OXO2PHENOXYPROPAN2YL)CARBAMOYLAMINO)PHENYL)PROPANOATE
methyl333trifluoro2phenoxyN((4(111trifluoro2hydroxy3methoxy3oxopropan2yl)phenyl)carbamoyl)alaninate
METHYL333TRIFLUORO2PHENOXYN((4(222TRIFLUORO1HYDROXY1(METHOXYCARBONYL)ETHYL)PHENYL)CARBAMOYL)ALANINATE
MFCD00788995
ZINC000004208041
ZINC000004208045
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