Vitas-M small molecule compound

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

Catalog ID
STK058020
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)O

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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 C28H27BrN2O5 MW 551.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O5/c1-34-23-9-8-15(13-24(23)35-2)16-11-21-26(22(32)12-16)27(31-20-7-5-4-6-19(20)30-21)17-10-18(29)28(33)25(14-17)36-3/h4-10,13-14,16,27,30-31,33H,11-12H2,1-3H3
InChIKey
AYQMENXVDLFJKG-UHFFFAOYSA-N
Synonyms

11(3bromo4hydroxy5methoxyphenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(3BROMO4HYDROXY5METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(3bromo4hydroxy5methoxyphenyl)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)O)OC)C(=O)C2)OC
COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)O
InChI=1SC28H27BrN2O5c134239815(1324(23)352)16112126(22(32)1216)27(3120754619(20)3021)171018(29)28(33)25(1417)363h41013141627303133H1112H213H3
MFCD01874746
STK058020
ZINC000001082745
ZINC000001082748

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Available files

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