Vitas-M small molecule compound

[5-(benzyloxy)-1H-indol-3-yl]{4-[3-(dimethylamino)propyl]piperazin-1-yl}acetic acid

Catalog ID
STK658001
SMILES CN(CCCN1CCN(CC1)C(c1c[nH]c2c1cc(OCc1ccccc1)cc2)C(=O)O)C

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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 C26H34N4O3 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4O3/c1-28(2)11-6-12-29-13-15-30(16-14-29)25(26(31)32)23-18-27-24-10-9-21(17-22(23)24)33-19-20-7-4-3-5-8-20/h3-5,7-10,17-18,25,27H,6,11-16,19H2,1-2H3,(H,31,32)
InChIKey
BDYRAPUHJKVGRK-UHFFFAOYSA-N
Synonyms
1144439-32-6
(5(benzyloxy)1Hindol3yl)(4(3(dimethylamino)propyl)piperazin1yl)aceticacid
1144439326
2(4(3(dimethylamino)propyl)piperazin1yl)2(5phenylmethoxy1Hindol3yl)aceticacid
2(5(benzyloxy)1Hindol3yl)2(4(3(dimethylamino)propyl)piperazin1yl)aceticacid
CN(C)CCCN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O
CN(CCCN1CCN(CC1)C(c1c(nH)c2c1cc(OCc1ccccc1)cc2)C(=O)O)C
InChI=1SC26H34N4O3c128(2)1161229131530(161429)25(26(31)32)2318272410921(1722(23)24)3319207435820h3571017182527H6111619H212H3(H3132)
MFCD12218534
ZINC000032106301
ZINC000032106304

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Available files

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