Vitas-M small molecule compound

2-(3-butoxypropyl)-3-(1-methyl-2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK287921
SMILES CCCCOCCCN1C(=O)c2c(C1c1c(c3ccccc3)n(c3c1cccc3)C)cccc2

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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 C30H32N2O2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O2/c1-3-4-20-34-21-12-19-32-29(23-15-8-9-16-24(23)30(32)33)27-25-17-10-11-18-26(25)31(2)28(27)22-13-6-5-7-14-22/h5-11,13-18,29H,3-4,12,19-21H2,1-2H3
InChIKey
KYCWSPXSXNBWKR-UHFFFAOYSA-N
Synonyms

2(3butoxypropyl)3(1methyl2phenyl1Hindol3yl)23dihydro1Hisoindol1one
2(3BUTOXYPROPYL)3(1METHYL2PHENYLINDOL3YL)3HISOINDOL1ONE
CCCCOCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5
InChI=1SC30H32N2O2c13420342112193229(2315891624(23)30(32)33)27251710111826(25)31(2)28(27)22136571422h511131829H34121921H212H3
MFCD09271116
ZINC000013943802
ZINC000013943804

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Available files

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