Vitas-M small molecule compound

1-[1-hydroxy-3,11-bis(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STK196671
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C)C1c1ccc(cc1)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 C33H36N2O2 MW 492.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O2/c1-4-5-6-11-31(37)35-29-10-8-7-9-27(29)34-28-20-26(24-16-12-22(2)13-17-24)21-30(36)32(28)33(35)25-18-14-23(3)15-19-25/h7-10,12-19,26,33,36H,4-6,11,20-21H2,1-3H3
InChIKey
WOXPALOAWSUJRX-UHFFFAOYSA-N
Synonyms

1(1hydroxy311bis(4methylphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
MFCD03759942
ZINC000100429331
ZINC000100429340

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Available files

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