Vitas-M small molecule compound

ethyl 5-bromo-3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK550722
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)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 C20H26BrN3O3 MW 436.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26BrN3O3/c1-3-27-20(26)19-18(15-12-14(21)4-5-16(15)22-19)23-17(25)8-11-24-9-6-13(2)7-10-24/h4-5,12-13,22H,3,6-11H2,1-2H3,(H,23,25)
InChIKey
LVGSNEOJUMDTFM-UHFFFAOYSA-N
Synonyms
799821-33-3
5BROMO3(3(4METHYLPIPERIDIN1YL)PROPIONYLAMINO)1HINDOLE2CARBOXYLICACIDETHYLESTER
799821333
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)Br
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCC(CC3)C
ethyl5bromo3((3(4methylpiperidin1yl)propanoyl)amino)1Hindole2carboxylate
ethyl5bromo3(3(4methylpiperidin1yl)propanamido)1Hindole2carboxylate
ETHYL5BROMO3(3(4METHYLPIPERIDIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC20H26BrN3O3c132720(26)1918(151214(21)4516(15)2219)2317(25)811249613(2)71024h45121322H3611H212H3(H2325)
MFCD03682388
ZINC000002236450
ZINC2236450

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Available files

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