Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406077
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCC1CCCO1
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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 C29H29BrFNO6 MW 586.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrFNO6/c1-15-25(29(35)38-14-20-4-3-9-37-20)26(18-10-21(30)28(34)24(13-18)36-2)27-22(32-15)11-17(12-23(27)33)16-5-7-19(31)8-6-16/h5-8,10,13,17,20,26,32,34H,3-4,9,11-12,14H2,1-2H3InChIKey
GCONIFSZUBVXGN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OCC5CCCO5
InChI=1SC29H29BrFNO6c11525(29(35)3814204393720)26(181021(30)28(34)24(1318)362)2722(3215)1117(1223(27)33)165719(31)8616h5810131720263234H349111214H212H3
MFCD04216214
oxolan2ylmethyl4(3bromo4hydroxy5methoxyphenyl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3bromo4hydroxy5methoxyphenyl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000059596053
ZINC000229948864
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