Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781412
SMILES N#CC1=C(n2cccc2)N(c2ccc(c(c2)Cl)F)C2=C(C1c1sccc1C)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 C27H23ClFN3OS MW 492.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN3OS/c1-16-8-11-34-25(16)23-18(15-30)26(31-9-4-5-10-31)32(17-6-7-20(29)19(28)12-17)21-13-27(2,3)14-22(33)24(21)23/h4-12,23H,13-14H2,1-3H3InChIKey
ZUNROGVBRYQMAQ-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)77dimethyl4(3methylthiophen2yl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(3CHLORO4FLUOROPHENYL)77DIMETHYL4(3METHYLTHIOPHEN2YL)5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)F)Cl)N5C=CC=C5)C#N
InChI=1SC27H23ClFN3OSc1168113425(16)2318(1530)26(319451031)32(176720(29)19(28)1217)211327(23)1422(33)24(21)23h41223H1314H213H3
MFCD06015024
ZINC000012463216
ZINC000012463217
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