Vitas-M small molecule compound
11-(2-bromo-4,5-dimethoxyphenyl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403308
SMILES COc1cccc(c1)C1CC2=C(C(=O)C1)C(Nc1c(N2)cccc1)c1cc(OC)c(cc1Br)OC
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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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-33-18-8-6-7-16(11-18)17-12-23-27(24(32)13-17)28(31-22-10-5-4-9-21(22)30-23)19-14-25(34-2)26(35-3)15-20(19)29/h4-11,14-15,17,28,30-31H,12-13H2,1-3H3InChIKey
UNXOEMOVDOZAFR-UHFFFAOYSA-NSynonyms
11(2bromo45dimethoxyphenyl)3(3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2bromo45dimethoxyphenyl)9(3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5Br)OC)OC)C(=O)C2
InChI=1SC28H27BrN2O4c1331886716(1118)17122327(24(32)1317)28(31221054921(22)3023)191425(342)26(353)1520(19)29h411141517283031H1213H213H3
MFCD03489116
ZINC000001434702
ZINC000001434705
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