Vitas-M small molecule compound

{5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}(4-phenylpiperazin-1-yl)acetic acid

Catalog ID
STK650722
SMILES CC(C(=O)Nc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCN(CC1)c1ccccc1)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 C24H28N4O3 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3/c1-16(2)23(29)26-17-8-9-21-19(14-17)20(15-25-21)22(24(30)31)28-12-10-27(11-13-28)18-6-4-3-5-7-18/h3-9,14-16,22,25H,10-13H2,1-2H3,(H,26,29)(H,30,31)
InChIKey
QYUKQBNYWPPGCA-UHFFFAOYSA-N
Synonyms
1214810-25-9
(5((2methylpropanoyl)amino)1Hindol3yl)(4phenylpiperazin1yl)aceticacid
1214810259
2(5(2methylpropanoylamino)1Hindol3yl)2(4phenylpiperazin1yl)aceticacid
2(5isobutyramido1Hindol3yl)2(4phenylpiperazin1yl)aceticacid
CC(C(=O)Nc1ccc2c(c1)c(c(nH)2)C(C(=O)O)N1CCN(CC1)c1ccccc1)C
CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC24H28N4O3c116(2)23(29)2617892119(1417)20(152521)22(24(30)31)28121027(111328)186435718h3914162225H1013H212H3(H2629)(H3031)
MFCD13759227
ZINC000036360000
ZINC000036360001

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Available files

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