Vitas-M small molecule compound

1-[1-hydroxy-11-(2-methoxyphenyl)-3,3-dimethyl-1,2,3,4,11,11a-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STL150892
SMILES CCCCCC(=O)N1C(C2C(O)CC(CC2=Nc2c1cccc2)(C)C)c1ccccc1OC

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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 C28H36N2O3 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O3/c1-5-6-7-16-25(32)30-22-14-10-9-13-20(22)29-21-17-28(2,3)18-23(31)26(21)27(30)19-12-8-11-15-24(19)33-4/h8-15,23,26-27,31H,5-7,16-18H2,1-4H3
InChIKey
ASEVQPKUGBNXIJ-UHFFFAOYSA-N
Synonyms

1(1hydroxy11(2methoxyphenyl)33dimethyl12341111ahexahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
1(7hydroxy6(2methoxyphenyl)99dimethyl6a7810tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)hexan1one
CCCCCC(=O)N1C(C2C(CC(CC2=NC3=CC=CC=C31)(C)C)O)C4=CC=CC=C4OC
InChI=1SC28H36N2O3c15671625(32)3022141091320(22)29211728(23)1823(31)26(21)27(30)19128111524(19)334h81523262731H571618H214H3
MFCD03800879
ZINC000008837859
ZINC000017124055

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Available files

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