Vitas-M small molecule compound

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

Catalog ID
STK535559
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1ccc(cc1)F)C)cc(cc2)C

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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 C24H27FN4O3 MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN4O3/c1-15-4-9-20-19(14-15)21(22(26-20)24(31)32-3)27-23(30)16(2)28-10-12-29(13-11-28)18-7-5-17(25)6-8-18/h4-9,14,16,26H,10-13H2,1-3H3,(H,27,30)
InChIKey
ORYGXCSBPGCFBA-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1ccc(cc1)F)C)cc(cc2)C
InChI=1SC24H27FN4O3c115492019(1415)21(22(2620)24(31)323)2723(30)16(2)28101229(131128)187517(25)6818h49141626H1013H213H3(H2730)
methyl3((2(4(4fluorophenyl)piperazin1yl)propanoyl)amino)5methyl1Hindole2carboxylate
methyl3(2(4(4fluorophenyl)piperazin1yl)propanamido)5methyl1Hindole2carboxylate
METHYL3(2(4(4FLUOROPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)5METHYL1HINDOLE2CARBOXYLATE
MFCD02998570
ZINC000057054107
ZINC000057054112

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Available files

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