Vitas-M small molecule compound

methyl 2-{[(4-bromo-3,5-dimethylphenoxy)acetyl]amino}-4,5-dimethoxybenzoate

Catalog ID
STK225533
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)COc1cc(C)c(c(c1)C)Br)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 C20H22BrNO6 MW 452.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO6/c1-11-6-13(7-12(2)19(11)21)28-10-18(23)22-15-9-17(26-4)16(25-3)8-14(15)20(24)27-5/h6-9H,10H2,1-5H3,(H,22,23)
InChIKey
XVJNXUDVAQODSF-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1Br)C)OCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
InChI=1SC20H22BrNO6c111613(712(2)19(11)21)281018(23)2215917(264)16(253)814(15)20(24)275h69H10H215H3(H2223)
methyl2(((4bromo35dimethylphenoxy)acetyl)amino)45dimethoxybenzoate
METHYL2((2(4BROMO35DIMETHYLPHENOXY)ACETYL)AMINO)45DIMETHOXYBENZOATE
MFCD05839190
ZINC000002843042
ZINC02843042
ZINC2843042

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Available files

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