Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780726
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccccc1F
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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(18-9-10-24-25(13-18)36-17-35-24)19(16-31)28(32-11-5-6-12-32)33(22)21-8-4-3-7-20(21)30/h3-13,26H,14-15,17H2,1-2H3InChIKey
JDONQLAPDNCLCO-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(2fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)1(2FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC29H24FN3O3c129(2)142227(23(34)1529)26(189102425(1318)36173524)19(1631)28(3211561232)33(22)21843720(21)30h31326H141517H212H3
MFCD06013559
ZINC000001432021
ZINC000001432022
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