Vitas-M small molecule compound

[5-(benzyloxy)-1H-indol-3-yl]{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}acetic acid

Catalog ID
STK638626
SMILES OC(=O)C(c1c[nH]c2c1cc(OCc1ccccc1)cc2)N1CCN(CC1)CCc1ccncc1

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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 C28H30N4O3 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3/c33-28(34)27(32-16-14-31(15-17-32)13-10-21-8-11-29-12-9-21)25-19-30-26-7-6-23(18-24(25)26)35-20-22-4-2-1-3-5-22/h1-9,11-12,18-19,27,30H,10,13-17,20H2,(H,33,34)
InChIKey
RXRSBMOVDMPJOM-UHFFFAOYSA-N
Synonyms
1010875-36-1
(5(benzyloxy)1Hindol3yl)(4(2(pyridin4yl)ethyl)piperazin1yl)aceticacid
1010875361
2(5(benzyloxy)1Hindol3yl)2(4(2(pyridin4yl)ethyl)piperazin1yl)aceticacid
2(5phenylmethoxy1Hindol3yl)2(4(2pyridin4ylethyl)piperazin1yl)aceticacid
C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O
InChI=1SC28H30N4O3c3328(34)27(32161431(151732)1310218112912921)251930267623(1824(25)26)3520224213522h19111218192730H10131720H2(H3334)
MFCD12200529
OC(=O)C(c1c(nH)c2c1cc(OCc1ccccc1)cc2)N1CCN(CC1)CCc1ccncc1
ZINC000020676780
ZINC000020676784

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Available files

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