Vitas-M small molecule compound

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

Catalog ID
STK063727
SMILES COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccc(cc1)Cl)cccc2)(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 C30H29ClN2O4 MW 517.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O4/c1-30(2)16-22-27(24(34)17-30)28(19-11-14-25(36-3)26(15-19)37-4)33(23-8-6-5-7-21(23)32-22)29(35)18-9-12-20(31)13-10-18/h5-15,28,34H,16-17H2,1-4H3
InChIKey
HSQNXAJNUNFYRH-UHFFFAOYSA-N
Synonyms

(4chlorophenyl)(11(34dimethoxyphenyl)1hydroxy33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)methanone
(4chlorophenyl)(11(34dimethoxyphenyl)1hydroxy33dimethyl34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)methanone
COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccc(cc1)Cl)cccc2)(C)C
MFCD03194509
STK063727
ZINC000100425046
ZINC000100425050

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Available files

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