Vitas-M small molecule compound
2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl 3-chloro-4-fluorobenzoate
Catalog ID
STL012196
SMILES O=C(Nc1ccc(cc1C)Br)COC(=O)c1ccc(c(c1)Cl)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 C16H12BrClFNO3 MW 400.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrClFNO3/c1-9-6-11(17)3-5-14(9)20-15(21)8-23-16(22)10-2-4-13(19)12(18)7-10/h2-7H,8H2,1H3,(H,20,21)InChIKey
JZHRRZKATFFQSK-UHFFFAOYSA-NSynonyms
(2(4bromo2methylanilino)2oxoethyl)3chloro4fluorobenzoate
2((4bromo2methylphenyl)amino)2oxoethyl3chloro4fluorobenzoate
CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=C(C=C2)F)Cl
InChI=1SC16H12BrClFNO3c19611(17)3514(9)2015(21)82316(22)102413(19)12(18)710h27H8H21H3(H2021)
MFCD18185555
ZINC000051354070
ZINC51354070
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