Vitas-M small molecule compound
methyl 4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK960671
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1ccc(cc1)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 C25H26BrNO5 MW 500.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrNO5/c1-14-21(24(29)30-4)23(22-18(27-14)11-25(2,3)12-19(22)28)20-10-9-17(32-20)13-31-16-7-5-15(26)6-8-16/h5-10,23,27H,11-13H2,1-4H3InChIKey
QOQNXGSQJPORBG-UHFFFAOYSA-NSynonyms
445031-53-8445031538
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)OC
InChI=1SC25H26BrNO5c11421(24(29)304)23(2218(2714)1125(23)1219(22)28)2010917(3220)1331167515(26)6816h5102327H1113H214H3
methyl4(5((4bromophenoxy)methyl)furan2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((4bromophenoxy)methyl)furan2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175637
ZINC000000648502
ZINC000000648503
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