Vitas-M small molecule compound

methyl 2-[(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)amino]benzoate

Catalog ID
STK862043
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)Nc1ccccc1C(=O)OC

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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 C18H17Cl3N2O4 MW 431.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl3N2O4/c1-26-12-9-7-11(8-10-12)15(24)23-17(18(19,20)21)22-14-6-4-3-5-13(14)16(25)27-2/h3-10,17,22H,1-2H3,(H,23,24)
InChIKey
HYPFLPIGMFAJMS-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=C2C(=O)OC
InChI=1SC18H17Cl3N2O4c126129711(81012)15(24)2317(18(1920)21)2214643513(14)16(25)272h3101722H12H3(H2324)
methyl2((222trichloro1(((4methoxyphenyl)carbonyl)amino)ethyl)amino)benzoate
METHYL2((222TRICHLORO1((4METHOXYBENZOYL)AMINO)ETHYL)AMINO)BENZOATE
MFCD00648710
ZINC000000872943
ZINC000002667008

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.