Vitas-M small molecule compound

[6-(benzyloxy)-1H-indol-3-yl][4-(3-chlorobenzyl)piperazin-1-yl]acetic acid

Catalog ID
STK637930
SMILES Clc1cccc(c1)CN1CCN(CC1)C(c1c[nH]c2c1ccc(c2)OCc1ccccc1)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 C28H28ClN3O3 MW 490.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O3/c29-22-8-4-7-21(15-22)18-31-11-13-32(14-12-31)27(28(33)34)25-17-30-26-16-23(9-10-24(25)26)35-19-20-5-2-1-3-6-20/h1-10,15-17,27,30H,11-14,18-19H2,(H,33,34)
InChIKey
DHSKRSJTLLONSS-UHFFFAOYSA-N
Synonyms
1010874-95-9
(6(benzyloxy)1Hindol3yl)(4(3chlorobenzyl)piperazin1yl)aceticacid
1010874959
2(4((3chlorophenyl)methyl)piperazin1yl)2(6phenylmethoxy1Hindol3yl)aceticacid
2(6(benzyloxy)1Hindol3yl)2(4(3chlorobenzyl)piperazin1yl)aceticacid
C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O
Clc1cccc(c1)CN1CCN(CC1)C(c1c(nH)c2c1ccc(c2)OCc1ccccc1)C(=O)O
InChI=1SC28H28ClN3O3c292284721(1522)1831111332(141231)27(28(33)34)251730261623(91024(25)26)3519205213620h11015172730H11141819H2(H3334)
MFCD12204824
ZINC000020714188
ZINC000020714193

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Available files

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