Vitas-M small molecule compound
4-(5-bromo-2-fluorophenyl)-2,7,7-trimethyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK406112
SMILES Brc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cc1)C)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 C26H26BrFN2O2 MW 497.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrFN2O2/c1-14-5-8-17(9-6-14)30-25(32)22-15(2)29-20-12-26(3,4)13-21(31)24(20)23(22)18-11-16(27)7-10-19(18)28/h5-11,23,29H,12-13H2,1-4H3,(H,30,32)InChIKey
MHIOASIUTRKSCL-UHFFFAOYSA-NSynonyms
4(5bromo2fluorophenyl)277trimethylN(4methylphenyl)5oxo145678hexahydroquinoline3carboxamide
4(5bromo2fluorophenyl)277trimethylN(4methylphenyl)5oxo1468tetrahydroquinoline3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=CC(=C4)Br)F)C(=O)CC(C3)(C)C)C
InChI=1SC26H26BrFN2O2c1145817(9614)3025(32)2215(2)29201226(34)1321(31)24(20)23(22)181116(27)71019(18)28h5112329H1213H214H3(H3032)
MFCD04216029
ZINC000016293869
ZINC000020323189
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