Vitas-M small molecule compound

[6-(benzyloxy)-1H-indol-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]acetic acid

Catalog ID
STK638292
SMILES COc1ccccc1N1CCN(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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-34-26-10-6-5-9-25(26)30-13-15-31(16-14-30)27(28(32)33)23-18-29-24-17-21(11-12-22(23)24)35-19-20-7-3-2-4-8-20/h2-12,17-18,27,29H,13-16,19H2,1H3,(H,32,33)
InChIKey
JGTWZKUAVUCLNV-UHFFFAOYSA-N
Synonyms
1010901-96-8
(6(benzyloxy)1Hindol3yl)(4(2methoxyphenyl)piperazin1yl)aceticacid
1010901968
2(4(2methoxyphenyl)piperazin1yl)2(6phenylmethoxy1Hindol3yl)aceticacid
2(6(benzyloxy)1Hindol3yl)2(4(2methoxyphenyl)piperazin1yl)aceticacid
COC1=CC=CC=C1N2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O
COc1ccccc1N1CCN(CC1)C(c1c(nH)c2c1ccc(c2)OCc1ccccc1)C(=O)O
InChI=1SC28H29N3O4c134261065925(26)30131531(161430)27(28(32)33)231829241721(111222(23)24)3519207324820h21217182729H131619H21H3(H3233)
MFCD12201647
ZINC000012324374
ZINC000012324375

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Available files

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