Vitas-M small molecule compound

methyl 3-[(2-bromohexanoyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK554445
SMILES CCCCC(C(=O)Nc1c([nH]c2c1cccc2)C(=O)OC)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 C16H19BrN2O3 MW 367.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN2O3/c1-3-4-8-11(17)15(20)19-13-10-7-5-6-9-12(10)18-14(13)16(21)22-2/h5-7,9,11,18H,3-4,8H2,1-2H3,(H,19,20)
InChIKey
KJXIZLNHSMXDKN-UHFFFAOYSA-N
Synonyms
840473-86-1
840473861
CCCCC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)Br
CCCCC(C(=O)Nc1c((nH)c2c1cccc2)C(=O)OC)Br
InChI=1SC16H19BrN2O3c134811(17)15(20)191310756912(10)1814(13)16(21)222h5791118H348H212H3(H1920)
methyl3((2bromohexanoyl)amino)1Hindole2carboxylate
methyl3(2bromohexanamido)1Hindole2carboxylate
METHYL3(2BROMOHEXANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD04005746
ZINC000005093469
ZINC000005093472

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Available files

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