Vitas-M small molecule compound

11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol

Catalog ID
STK564864
SMILES OC1=C2C(=Nc3c(NC2c2cc4OCOc4cc2Br)cccc3)CC(C1)(C)C

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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 C22H21BrN2O3 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3/c1-22(2)9-16-20(17(26)10-22)21(25-15-6-4-3-5-14(15)24-16)12-7-18-19(8-13(12)23)28-11-27-18/h3-8,21,25-26H,9-11H2,1-2H3
InChIKey
QDBSMXTXGZNFHG-UHFFFAOYSA-N
Synonyms

11(6bromo13benzodioxol5yl)33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin1ol
MFCD03803073
ZINC000102530997
ZINC000102531002

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.