Vitas-M small molecule compound

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

Catalog ID
STK647262
SMILES CCNC(=O)CN1CCN(CC1)C(c1c[nH]c2c1cc(OCc1ccccc1)cc2)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 C25H30N4O4 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4/c1-2-26-23(30)16-28-10-12-29(13-11-28)24(25(31)32)21-15-27-22-9-8-19(14-20(21)22)33-17-18-6-4-3-5-7-18/h3-9,14-15,24,27H,2,10-13,16-17H2,1H3,(H,26,30)(H,31,32)
InChIKey
NPRUSYNUPWQYDJ-UHFFFAOYSA-N
Synonyms
1081133-59-6
(5(benzyloxy)1Hindol3yl)(4(2(ethylamino)2oxoethyl)piperazin1yl)aceticacid
1081133596
2(4(2(ethylamino)2oxoethyl)piperazin1yl)2(5phenylmethoxy1Hindol3yl)aceticacid
2(5(benzyloxy)1Hindol3yl)2(4(2(ethylamino)2oxoethyl)piperazin1yl)aceticacid
CCNC(=O)CN1CCN(CC1)C(c1c(nH)c2c1cc(OCc1ccccc1)cc2)C(=O)O
CCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O
InChI=1SC25H30N4O4c122623(30)1628101229(131128)24(25(31)32)211527229819(1420(21)22)3317186435718h3914152427H210131617H21H3(H2630)(H3132)
MFCD12209232
ZINC000020738013
ZINC000020738017

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Available files

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