Vitas-M small molecule compound
(3E)-4-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)but-3-en-2-one
Catalog ID
STK310174
SMILES O=C(CC12CC3CC(C2)CC(C1)C3)/C=C/c1ccc(o1)COc1ccc(cc1)Cl
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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 C25H27ClO3 MW 410.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClO3/c26-20-1-4-22(5-2-20)28-16-24-8-7-23(29-24)6-3-21(27)15-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-16H2/b6-3+InChIKey
ZLOZITJELDABTB-ZZXKWVIFSA-NSynonyms
832126-53-1(3E)4(5((4chlorophenoxy)methyl)furan2yl)1(tricyclo(3311~37~)dec1yl)but3en2one
(E)1(1adamantyl)4(5((4chlorophenoxy)methyl)furan2yl)but3en2one
832126531
C1C2CC3CC1CC(C2)(C3)CC(=O)C=CC4=CC=C(O4)COC5=CC=C(C=C5)Cl
InChI=1SC25H27ClO3c26201422(5220)2816248723(2924)6321(27)15251217918(1325)1119(1017)1425h181719H916H2b63+
MFCD05667038
O=C(CC12CC3CC(C2)CC(C1)C3)C=Cc1ccc(o1)COc1ccc(cc1)Cl
ZINC000013960094
ZINC13960094
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