Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK780725
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccc(cc1)F

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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 C29H24FN3O3 MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O3/c1-29(2)14-22-27(23(34)15-29)26(18-5-10-24-25(13-18)36-17-35-24)21(16-31)28(32-11-3-4-12-32)33(22)20-8-6-19(30)7-9-20/h3-13,26H,14-15,17H2,1-2H3
InChIKey
UXQDPTKIPTYMCZ-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)1(4fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)1(4FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC29H24FN3O3c129(2)142227(23(34)1529)26(185102425(1318)36173524)21(1631)28(3211341232)33(22)208619(30)7920h31326H141517H212H3
MFCD06013558
ZINC000001432019
ZINC000001432020

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Available files

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