Vitas-M small molecule compound
9-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Catalog ID
STL380075
SMILES C#CCOc1ccc(cc1C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)C)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 C27H30BrNO3 MW 496.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO3/c1-7-10-32-22-9-8-16(28)11-17(22)23-24-18(12-26(2,3)14-20(24)30)29(6)19-13-27(4,5)15-21(31)25(19)23/h1,8-9,11,23H,10,12-15H2,2-6H3InChIKey
POSYSUCIBOOVLP-UHFFFAOYSA-NSynonyms
9(5bromo2(prop2yn1yloxy)phenyl)336610pentamethyl3467910hexahydroacridine18(2H5H)dione
9(5bromo2prop2ynoxyphenyl)336610pentamethyl4579tetrahydro2Hacridine18dione
CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Br)OCC#C)C(=O)C1)C
InChI=1SC27H30BrNO3c171032229816(28)1117(22)232418(1226(23)1420(24)30)29(6)191327(45)1521(31)25(19)23h1891123H101215H226H3
MFCD03271863
ZINC000002168813
ZINC02168813
ZINC2168813
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