Vitas-M small molecule compound

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

Catalog ID
STK028443
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)ccc1OC

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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/c1-33-24-11-9-18(29)15-19(24)28-27-22(30-20-6-4-5-7-21(20)31-28)12-17(13-23(27)32)16-8-10-25(34-2)26(14-16)35-3/h4-11,14-15,17,28,30-31H,12-13H2,1-3H3
InChIKey
OSRRGCGCGLWZLB-UHFFFAOYSA-N
Synonyms

11(5bromo2methoxyphenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(5bromo2methoxyphenyl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2
COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)ccc1OC
InChI=1SC28H27BrN2O4c1332411918(29)1519(24)282722(3020645721(20)3128)1217(1323(27)32)1681025(342)26(1416)353h411141517283031H1213H213H3
MFCD02104316
STK028443
ZINC000001438090
ZINC000001438093

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Available files

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