Vitas-M small molecule compound
9a-{(E)-2-[4-(benzyloxy)phenyl]ethenyl}-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Catalog ID
STL005515
SMILES O=C1CN2C(N1)(/C=C/c1ccc(cc1)OCc1ccccc1)C(c1c2ccc(c1)C)(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 C28H28N2O2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2/c1-20-9-14-25-24(17-20)27(2,3)28(29-26(31)18-30(25)28)16-15-21-10-12-23(13-11-21)32-19-22-7-5-4-6-8-22/h4-17H,18-19H2,1-3H3,(H,29,31)/b16-15+InChIKey
KMXYRPUVIXGSDF-FOCLMDBBSA-NSynonyms
(E)9a(4(benzyloxy)styryl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
446TRIMETHYL3A((E)2(4PHENYLMETHOXYPHENYL)ETHENYL)13DIHYDROIMIDAZO(12A)INDOL2ONE
9a((E)2(4(benzyloxy)phenyl)ethenyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
CC1=CC2=C(C=C1)N3CC(=O)NC3(C2(C)C)C=CC4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC28H28N2O2c1209142524(1720)27(23)28(2926(31)1830(25)28)161521101223(131121)3219227546822h417H1819H213H3(H2931)b1615+
MFCD05692758
O=C1CN2C(N1)(C=Cc1ccc(cc1)OCc1ccccc1)C(c1c2ccc(c1)C)(C)C
ZINC000002395462
ZINC000005488748
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