Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402835
SMILES Brc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1)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 C26H25BrFNO4S MW 546.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrFNO4S/c1-14-23(26(31)33-13-17-4-2-8-32-17)24(18-12-16(27)6-7-19(18)28)25-20(29-14)10-15(11-21(25)30)22-5-3-9-34-22/h3,5-7,9,12,15,17,24,29H,2,4,8,10-11,13H2,1H3InChIKey
UGUYIWADEBRANA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)Br)F)C(=O)OCC5CCCO5
InChI=1SC26H25BrFNO4Sc11423(26(31)3313174283217)24(181216(27)6719(18)28)2520(2914)1015(1121(25)30)225393422h35791215172429H248101113H21H3
MFCD03036711
oxolan2ylmethyl4(5bromo2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(5bromo2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000000717500
ZINC000097939724
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