Vitas-M small molecule compound

1-[11-(2,5-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STK562125
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)(C)C)C1c1cc(OC)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 C29H36N2O4 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O4/c1-6-7-8-13-26(33)31-23-12-10-9-11-21(23)30-22-17-29(2,3)18-24(32)27(22)28(31)20-16-19(34-4)14-15-25(20)35-5/h9-12,14-16,28,32H,6-8,13,17-18H2,1-5H3
InChIKey
KTKZBYSFGZYERD-UHFFFAOYSA-N
Synonyms

1(11(25dimethoxyphenyl)1hydroxy33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
MFCD03811369
ZINC000102509821
ZINC000102509826

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Available files

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