Vitas-M small molecule compound

2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK754785
SMILES N#CC1=C(N)N(c2ccc(cc2)C)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)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 C26H25N3O3 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3/c1-15-4-7-17(8-5-15)29-19-11-26(2,3)12-20(30)24(19)23(18(13-27)25(29)28)16-6-9-21-22(10-16)32-14-31-21/h4-10,23H,11-12,14,28H2,1-3H3
InChIKey
IIRNUVNPLTWMTO-UHFFFAOYSA-N
Synonyms

2amino4(13benzodioxol5yl)77dimethyl1(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)77DIMETHYL1(4METHYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)(C)C
InChI=1SC26H25N3O3c1154717(8515)29191126(23)1220(30)24(19)23(18(1327)25(29)28)16692122(1016)32143121h41023H11121428H213H3
MFCD00826637
ZINC000000705499
ZINC000000705500

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Available files

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