Vitas-M small molecule compound
2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl 4-(trifluoromethyl)benzoate
Catalog ID
STL186651
SMILES O=C(Nc1cc(Cl)ccc1C)COC(=O)c1ccc(cc1)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 C17H13ClF3NO3 MW 371.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClF3NO3/c1-10-2-7-13(18)8-14(10)22-15(23)9-25-16(24)11-3-5-12(6-4-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,23)InChIKey
RPSVTPARPUTGFD-UHFFFAOYSA-NSynonyms
(2(5CHLORO2METHYLANILINO)2OXOETHYL)4(TRIFLUOROMETHYL)BENZOATE
2((5chloro2methylphenyl)amino)2oxoethyl4(trifluoromethyl)benzoate
CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI=1SC17H13ClF3NO3c1102713(18)814(10)2215(23)92516(24)113512(6411)17(1920)21h28H9H21H3(H2223)
MFCD05277328
ZINC000005980764
ZINC5980764
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