Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK072036
SMILES COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1)Br
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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 C23H26BrNO5 MW 476.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO5/c1-13-20(23(27)30-12-15-5-4-10-29-15)21(16-11-14(24)8-9-19(16)28-2)22-17(25-13)6-3-7-18(22)26/h8-9,11,15,21,25H,3-7,10,12H2,1-2H3InChIKey
LJEOYORKUIBZCG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)OC)C(=O)OCC4CCCO4
COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1)Br
InChI=1SC23H26BrNO5c11320(23(27)30121554102915)21(161114(24)8919(16)282)2217(2513)63718(22)26h8911152125H371012H212H3
MFCD02104403
oxolan2ylmethyl4(5bromo2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK072036
tetrahydrofuran2ylmethyl4(5bromo2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001107183
ZINC000001107186
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