Vitas-M small molecule compound

11-(3-bromo-4,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK089057
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)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 C29H29BrN2O5 MW 565.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O5/c1-34-24-10-9-16(14-25(24)35-2)17-12-22-27(23(33)13-17)28(32-21-8-6-5-7-20(21)31-22)18-11-19(30)29(37-4)26(15-18)36-3/h5-11,14-15,17,28,31-32H,12-13H2,1-4H3
InChIKey
NLZXAWLPYNMGOV-UHFFFAOYSA-N
Synonyms

11(3bromo45dimethoxyphenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo45dimethoxyphenyl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)OC
InChI=1SC29H29BrN2O5c1342410916(1425(24)352)17122227(23(33)1317)28(3221865720(21)3122)181119(30)29(374)26(1518)363h511141517283132H1213H214H3
MFCD02104507
STK089057
ZINC000001438136
ZINC000001438139

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Available files

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