Vitas-M small molecule compound

[5-(benzyloxy)-1H-indol-3-yl][4-(2,4-dimethylphenyl)piperazin-1-yl]acetic acid

Catalog ID
STK640681
SMILES OC(=O)C(c1c[nH]c2c1cc(OCc1ccccc1)cc2)N1CCN(CC1)c1ccc(cc1C)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 C29H31N3O3 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3/c1-20-8-11-27(21(2)16-20)31-12-14-32(15-13-31)28(29(33)34)25-18-30-26-10-9-23(17-24(25)26)35-19-22-6-4-3-5-7-22/h3-11,16-18,28,30H,12-15,19H2,1-2H3,(H,33,34)
InChIKey
CRWVOJOMRYAMGI-UHFFFAOYSA-N
Synonyms
1040706-07-7
(5(benzyloxy)1Hindol3yl)(4(24dimethylphenyl)piperazin1yl)aceticacid
1040706077
2(4(24dimethylphenyl)piperazin1yl)2(5phenylmethoxy1Hindol3yl)aceticacid
2(5(benzyloxy)1Hindol3yl)2(4(24dimethylphenyl)piperazin1yl)aceticacid
CC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O)C
InChI=1SC29H31N3O3c12081127(21(2)1620)31121432(151331)28(29(33)34)2518302610923(1724(25)26)3519226435722h31116182830H121519H212H3(H3334)
MFCD12207588
OC(=O)C(c1c(nH)c2c1cc(OCc1ccccc1)cc2)N1CCN(CC1)c1ccc(cc1C)C
ZINC000020728590
ZINC000020728594

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Available files

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