Vitas-M small molecule compound

{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}(1H-indol-3-yl)acetic acid

Catalog ID
STK658204
SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)C(c1c[nH]c2c1cccc2)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 C27H26ClN3O2 MW 459.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2/c28-21-12-10-20(11-13-21)25(19-6-2-1-3-7-19)30-14-16-31(17-15-30)26(27(32)33)23-18-29-24-9-5-4-8-22(23)24/h1-13,18,25-26,29H,14-17H2,(H,32,33)
InChIKey
XFDSDLVOTWGJTD-UHFFFAOYSA-N
Synonyms
1144449-30-8
(4((4chlorophenyl)(phenyl)methyl)piperazin1yl)(1Hindol3yl)aceticacid
1144449308
2(4((4chlorophenyl)(phenyl)methyl)piperazin1yl)2(1Hindol3yl)aceticacid
2(4((4chlorophenyl)phenylmethyl)piperazin1yl)2(1Hindol3yl)aceticacid
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CNC5=CC=CC=C54)C(=O)O
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)C(c1c(nH)c2c1cccc2)C(=O)O
InChI=1SC27H26ClN3O2c2821121020(111321)25(196213719)30141631(171530)26(27(32)33)23182924954822(23)24h11318252629H1417H2(H3233)
MFCD12211858
ZINC000032073420
ZINC000032073426

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Available files

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