Vitas-M small molecule compound

[5-(acetylamino)-1H-indol-3-yl][4-(4-methylquinolin-2-yl)piperazin-1-yl]acetic acid

Catalog ID
STK647745
SMILES CC(=O)Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)c1cc(C)c2c(n1)cccc2)C(=O)O

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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 C26H27N5O3 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3/c1-16-13-24(29-23-6-4-3-5-19(16)23)30-9-11-31(12-10-30)25(26(33)34)21-15-27-22-8-7-18(14-20(21)22)28-17(2)32/h3-8,13-15,25,27H,9-12H2,1-2H3,(H,28,32)(H,33,34)
InChIKey
DECHEUIOIUYEIP-UHFFFAOYSA-N
Synonyms
1144444-90-5
(5(acetylamino)1Hindol3yl)(4(4methylquinolin2yl)piperazin1yl)aceticacid
1144444905
2(5acetamido1Hindol3yl)2(4(4methylquinolin2yl)piperazin1yl)aceticacid
CC(=O)Nc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)c1cc(C)c2c(n1)cccc2)C(=O)O
CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C(C4=CNC5=C4C=C(C=C5)NC(=O)C)C(=O)O
InChI=1SC26H27N5O3c1161324(2923643519(16)23)3091131(121030)25(26(33)34)211527228718(1420(21)22)2817(2)32h3813152527H912H212H3(H2832)(H3334)
MFCD12216651
ZINC000031810907
ZINC000031810912

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Available files

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