Vitas-M small molecule compound

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

Catalog ID
STK536785
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1ccc(cc1)F)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 C23H24BrFN4O3 MW 503.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrFN4O3/c1-14(28-9-11-29(12-10-28)17-6-4-16(25)5-7-17)22(30)27-20-18-13-15(24)3-8-19(18)26-21(20)23(31)32-2/h3-8,13-14,26H,9-12H2,1-2H3,(H,27,30)
InChIKey
JAQHSAVHRQVVJS-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCN(CC3)C4=CC=C(C=C4)F
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1ccc(cc1)F)C)cc(cc2)Br
InChI=1SC23H24BrFN4O3c114(2891129(121028)176416(25)5717)22(30)2720181315(24)3819(18)2621(20)23(31)322h38131426H912H212H3(H2730)
methyl5bromo3((2(4(4fluorophenyl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
methyl5bromo3(2(4(4fluorophenyl)piperazin1yl)propanamido)1Hindole2carboxylate
METHYL5BROMO3(2(4(4FLUOROPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD02998148
ZINC000057054322
ZINC000057054325

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Available files

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