Vitas-M small molecule compound
ethyl 4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961048
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1cccc(c1)Br)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 C26H28BrNO5 MW 514.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO5/c1-5-31-25(30)22-15(2)28-19-12-26(3,4)13-20(29)23(19)24(22)21-10-9-18(33-21)14-32-17-8-6-7-16(27)11-17/h6-11,24,28H,5,12-14H2,1-4H3InChIKey
HDDAEBOGIAPKSO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)C
ethyl4(5((3bromophenoxy)methyl)furan2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((3bromophenoxy)methyl)furan2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H28BrNO5c153125(30)2215(2)28191226(34)1320(29)23(19)24(22)2110918(3321)14321786716(27)1117h6112428H51214H214H3
MFCD02243793
ZINC000000648678
ZINC000000648681
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