Vitas-M small molecule compound

1-[11-(furan-2-yl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one

Catalog ID
STK196679
SMILES COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccco2)C(=O)CC)C1)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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-3-25(31)29-22-8-5-4-7-20(22)28-21-15-18(17-10-12-19(32-2)13-11-17)16-23(30)26(21)27(29)24-9-6-14-33-24/h4-14,18,27,30H,3,15-16H2,1-2H3
InChIKey
CLGJGVPRZABLNA-UHFFFAOYSA-N
Synonyms

1(11(furan2yl)1hydroxy3(4methoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)propan1one
MFCD03759950
ZINC000100429430
ZINC000100429437

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Available files

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