Vitas-M small molecule compound

methyl 1-[(4-bromo-3,5-dimethylphenoxy)acetyl]-1H-indole-3-carboxylate

Catalog ID
STK225514
SMILES COC(=O)c1cn(c2c1cccc2)C(=O)COc1cc(C)c(c(c1)C)Br

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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 C20H18BrNO4 MW 416.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO4/c1-12-8-14(9-13(2)19(12)21)26-11-18(23)22-10-16(20(24)25-3)15-6-4-5-7-17(15)22/h4-10H,11H2,1-3H3
InChIKey
TUTSOMUFVQNSCN-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1Br)C)OCC(=O)N2C=C(C3=CC=CC=C32)C(=O)OC
InChI=1SC20H18BrNO4c112814(913(2)19(12)21)261118(23)221016(20(24)253)15645717(15)22h410H11H213H3
methyl1((4bromo35dimethylphenoxy)acetyl)1Hindole3carboxylate
METHYL1(2(4BROMO35DIMETHYLPHENOXY)ACETYL)INDOLE3CARBOXYLATE
MFCD03708667
ZINC000001159362
ZINC01159362
ZINC1159362

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Available files

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