Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(phenylcarbamoyl)amino]phenyl}propanoate
Catalog ID
STK690893
SMILES COC(=O)C(C(F)(F)F)(c1ccc(cc1)N(C(=O)Nc1ccccc1)C)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 C18H17F3N2O4 MW 382.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O4/c1-23(16(25)22-13-6-4-3-5-7-13)14-10-8-12(9-11-14)17(26,15(24)27-2)18(19,20)21/h3-11,26H,1-2H3,(H,22,25)InChIKey
PTVTVOXBCWOETJ-UHFFFAOYSA-NSynonyms
BENZENEACETICACIDALPHAHYDROXY4(METHYL((PHENYLAMINO)CARBONYL)AMINO)ALPHA(TRIFLUOROMETHYL)METHYLESTER
CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)NC2=CC=CC=C2
InChI=1SC18H17F3N2O4c123(16(25)22136435713)1410812(91114)17(2615(24)272)18(1920)21h31126H12H3(H2225)
methyl333trifluoro2hydroxy2(4(methyl(phenylcarbamoyl)amino)phenyl)propanoate
MFCD00358764
ZINC000012414100
ZINC000012414101
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