Vitas-M small molecule compound
16-(3-bromophenyl)-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
STK572245
SMILES Brc1cccc(c1)C1C=C2N(C3=C1C(=O)CCC3)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 C26H24BrNO3 MW 478.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrNO3/c27-18-5-1-4-16(12-18)20-14-22-19-15-25-24(30-10-3-11-31-25)13-17(19)8-9-28(22)21-6-2-7-23(29)26(20)21/h1,4-5,12-15,20H,2-3,6-11H2InChIKey
GTSSQBIJYQCGPL-UHFFFAOYSA-NSynonyms
879565-84-116(3bromophenyl)23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(3bromophenyl)346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
879565841
C1CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC(=CC=C6)Br)C(=O)C1
InChI=1SC26H24BrNO3c271851416(1218)20142219152524(30103113125)1317(19)8928(22)2162723(29)26(20)21h145121520H23611H2
MFCD07640544
ZINC000009043924
ZINC000009043928
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