Vitas-M small molecule compound

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

Catalog ID
STK644065
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)OCc1ccccc1)N1CCN(CC1)Cc1ccncc1

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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c32-27(33)26(31-14-12-30(13-15-31)18-20-8-10-28-11-9-20)24-17-29-25-16-22(6-7-23(24)25)34-19-21-4-2-1-3-5-21/h1-11,16-17,26,29H,12-15,18-19H2,(H,32,33)
InChIKey
ZAVIGKVIKJNSIE-UHFFFAOYSA-N
Synonyms
1081148-47-1
(6(benzyloxy)1Hindol3yl)(4(pyridin4ylmethyl)piperazin1yl)aceticacid
1081148471
2(6(benzyloxy)1Hindol3yl)2(4(pyridin4ylmethyl)piperazin1yl)aceticacid
2(6phenylmethoxy1Hindol3yl)2(4(pyridin4ylmethyl)piperazin1yl)aceticacid
C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O
InChI=1SC27H28N4O3c3227(33)26(31141230(131531)18208102811920)241729251622(6723(24)25)3419214213521h11116172629H12151819H2(H3233)
MFCD12205478
OC(=O)C(c1c(nH)c2c1ccc(c2)OCc1ccccc1)N1CCN(CC1)Cc1ccncc1
ZINC000020716101
ZINC000020716105

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Available files

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