Vitas-M small molecule compound

3-(4-fluorophenyl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK407047
SMILES COc1cc(cc(c1O)OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)F

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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 C27H25FN2O4 MW 460.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O4/c1-33-23-13-17(14-24(34-2)27(23)32)26-25-21(29-19-5-3-4-6-20(19)30-26)11-16(12-22(25)31)15-7-9-18(28)10-8-15/h3-10,13-14,16,26,29-30,32H,11-12H2,1-2H3
InChIKey
LKHZJYVLNMCAEB-UHFFFAOYSA-N
Synonyms
879047-21-9
3(4fluorophenyl)11(4hydroxy35dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
879047219
9(4fluorophenyl)6(4hydroxy35dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1O)OC)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2
InChI=1SC27H25FN2O4c133231317(1424(342)27(23)32)262521(2919534620(19)3026)1116(1222(25)31)157918(28)10815h31013141626293032H1112H212H3
MFCD07402618
ZINC000013568646
ZINC000013568649

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Available files

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