Vitas-M small molecule compound

2-[(E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one

Catalog ID
STK012808
SMILES COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1c1ccc(cc1)C)c(n2C)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 C28H25N3O2 MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O2/c1-18-9-11-20(12-10-18)31-27(29-25-8-6-5-7-23(25)28(31)32)16-14-22-19(2)30(3)26-15-13-21(33-4)17-24(22)26/h5-17H,1-4H3/b16-14+
InChIKey
FCDBSNBZGUXCOZ-JQIJEIRASA-N
Synonyms
330833-09-5
(E)2(2(5methoxy12dimethyl1Hindol3yl)vinyl)3(ptolyl)quinazolin4(3H)one
2((E)2(5METHOXY12DIMETHYL1HINDOL3YL)ETHENYL)3(4METHYLPHENYL)QUINAZOLIN4(3H)ONE
2((E)2(5METHOXY12DIMETHYLINDOL3YL)ETHENYL)3(4METHYLPHENYL)QUINAZOLIN4ONE
2(2(5METHOXY12DIMETHYL1HINDOL3YL)VINYL)3(4METHYLPHENYL)4(3H)QUINAZOLINONE
330833095
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=C(N(C5=C4C=C(C=C5)OC)C)C
COc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1c1ccc(cc1)C)c(n2C)C
InChI=1SC28H25N3O2c11891120(121018)3127(2925865723(25)28(31)32)16142219(2)30(3)26151321(334)1724(22)26h517H14H3b1614+
MFCD01046964
STK012808
ZINC000008450976
ZINC08450976
ZINC8450976

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Available files

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