Vitas-M small molecule compound

1-(4-butylphenyl)-2-(4-methoxyphenyl)-3-phenyl-2H-benzo[f]isoindole-4,9-dione

Catalog ID
STK077719
SMILES CCCCc1ccc(cc1)c1c2C(=O)c3ccccc3C(=O)c2c(n1c1ccc(cc1)OC)c1ccccc1

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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 C35H29NO3 MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29NO3/c1-3-4-10-23-15-17-25(18-16-23)33-31-30(34(37)28-13-8-9-14-29(28)35(31)38)32(24-11-6-5-7-12-24)36(33)26-19-21-27(39-2)22-20-26/h5-9,11-22H,3-4,10H2,1-2H3
InChIKey
FWFSHMVTHFSPKZ-UHFFFAOYSA-N
Synonyms
331973-94-5
1(4BUTYLPHENYL)2(4METHOXYPHENYL)3PHENYL2HBENZO(F)ISOINDOLE49DIONE
3(4BUTYLPHENYL)2(4METHOXYPHENYL)1PHENYLBENZO(F)ISOINDOLE49DIONE
331973945
CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O
CCCCc1ccc(cc1)c1c2C(=O)c3ccccc3C(=O)c2c(n1c1ccc(cc1)OC)c1ccccc1
InChI=1SC35H29NO3c1341023151725(181623)333130(34(37)2813891429(28)35(31)38)32(24116571224)36(33)26192127(392)222026h591122H3410H212H3
MFCD00290986
STK077719
ZINC000002193573
ZINC02193573
ZINC2193573

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Available files

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