Vitas-M small molecule compound

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

Catalog ID
STK551775
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1)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 C24H27BrN4O3 MW 499.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN4O3/c1-2-32-24(31)23-22(19-16-17(25)8-9-20(19)26-23)27-21(30)10-11-28-12-14-29(15-13-28)18-6-4-3-5-7-18/h3-9,16,26H,2,10-15H2,1H3,(H,27,30)
InChIKey
KUKWAEYSCZFQBS-UHFFFAOYSA-N
Synonyms
799783-06-5
799783065
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1)cc(cc2)Br
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCN(CC3)C4=CC=CC=C4
ethyl5bromo3((3(4phenylpiperazin1yl)propanoyl)amino)1Hindole2carboxylate
ethyl5bromo3(3(4phenylpiperazin1yl)propanamido)1Hindole2carboxylate
ETHYL5BROMO3(3(4PHENYLPIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC24H27BrN4O3c123224(31)2322(191617(25)8920(19)2623)2721(30)101128121429(151328)186435718h391626H21015H21H3(H2730)
MFCD03674634
ZINC000008997544
ZINC8997544

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Available files

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