Vitas-M small molecule compound

(4-acetylpiperazin-1-yl)(5-methyl-1H-indol-3-yl)acetic acid

Catalog ID
STK659908
SMILES OC(=O)C(c1c[nH]c2c1cc(C)cc2)N1CCN(CC1)C(=O)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 C17H21N3O3 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3/c1-11-3-4-15-13(9-11)14(10-18-15)16(17(22)23)20-7-5-19(6-8-20)12(2)21/h3-4,9-10,16,18H,5-8H2,1-2H3,(H,22,23)
InChIKey
QVAFOZXZXYOEPS-UHFFFAOYSA-N
Synonyms
1144468-16-5
(4acetylpiperazin1yl)(5methyl1Hindol3yl)aceticacid
1144468165
2(4acetylpiperazin1yl)2(5methyl1Hindol3yl)aceticacid
CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(=O)C
InChI=1SC17H21N3O3c111341513(911)14(101815)16(17(22)23)207519(6820)12(2)21h349101618H58H212H3(H2223)
MFCD12211970
OC(=O)C(c1c(nH)c2c1cc(C)cc2)N1CCN(CC1)C(=O)C
ZINC000032073657
ZINC000032073659

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Available files

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