Vitas-M small molecule compound

ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1-phenyl-1H-indole-3-carboxylate

Catalog ID
STK546235
SMILES CCOC(=O)c1c2cc(O)c(cc2n(c1CN1CCN(CC1)Cc1ccccc1)c1ccccc1)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 C29H30BrN3O3 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN3O3/c1-2-36-29(35)28-23-17-27(34)24(30)18-25(23)33(22-11-7-4-8-12-22)26(28)20-32-15-13-31(14-16-32)19-21-9-5-3-6-10-21/h3-12,17-18,34H,2,13-16,19-20H2,1H3
InChIKey
QVZUKZDSPXFHMQ-UHFFFAOYSA-N
Synonyms
398470-30-9
398470309
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5
ethyl2((4benzylpiperazin1yl)methyl)6bromo5hydroxy1phenyl1Hindole3carboxylate
ETHYL2((4BENZYLPIPERAZIN1YL)METHYL)6BROMO5HYDROXY1PHENYLINDOLE3CARBOXYLATE
InChI=1SC29H30BrN3O3c123629(35)28231727(34)24(30)1825(23)33(22117481222)26(28)2032151331(141632)192195361021h312171834H213161920H21H3
MFCD01438289
ZINC000000716330
ZINC716330

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Available files

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