Vitas-M small molecule compound

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

Catalog ID
STK550964
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)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 C24H26BrClN4O3 MW 533.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrClN4O3/c1-2-33-24(32)23-22(19-14-16(25)6-7-20(19)27-23)28-21(31)8-9-29-10-12-30(13-11-29)18-5-3-4-17(26)15-18/h3-7,14-15,27H,2,8-13H2,1H3,(H,28,31)
InChIKey
IWVSVOIHAUWONF-UHFFFAOYSA-N
Synonyms
799802-55-4
799802554
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)Br
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl
ethyl5bromo3((3(4(3chlorophenyl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
ethyl5bromo3(3(4(3chlorophenyl)piperazin1yl)propanamido)1Hindole2carboxylate
ETHYL5BROMO3(3(4(3CHLOROPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC24H26BrClN4O3c123324(32)2322(191416(25)6720(19)2723)2821(31)8929101230(131129)1853417(26)1518h37141527H2813H21H3(H2831)
MFCD03678908
ZINC000097952047
ZINC97952047

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Available files

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