Vitas-M small molecule compound
16-(3-bromophenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK591367
SMILES Brc1cccc(c1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1
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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 C28H28BrNO3 MW 506.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrNO3/c1-28(2)15-23-27(24(31)16-28)21(17-5-3-6-19(29)11-17)13-22-20-14-26-25(32-9-4-10-33-26)12-18(20)7-8-30(22)23/h3,5-6,11-14,21H,4,7-10,15-16H2,1-2H3InChIKey
SXGQDVKOTYPMAK-UHFFFAOYSA-NSynonyms
883963-43-716(3bromophenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(3bromophenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
883963437
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC(=CC=C6)Br)C(=O)C1)C
InChI=1SC28H28BrNO3c128(2)152327(24(31)1628)21(1753619(29)1117)132220142625(3294103326)1218(20)7830(22)23h356111421H47101516H212H3
MFCD07639769
ZINC000009129166
ZINC000013591309
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