Vitas-M small molecule compound
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK068437
SMILES Fc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(c(c(c1)C(C)(C)C)O)C(C)(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 C33H37FN2O2 MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37FN2O2/c1-32(2,3)23-15-21(16-24(31(23)38)33(4,5)6)30-29-27(35-25-9-7-8-10-26(25)36-30)17-20(18-28(29)37)19-11-13-22(34)14-12-19/h7-16,20,30,35-36,38H,17-18H2,1-6H3InChIKey
XNDBWXFDQLTAQL-UHFFFAOYSA-NSynonyms
523992-98-511(35BIS(TERTBUTYL)4HYDROXYPHENYL)3(4FLUOROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(35ditertbutyl4hydroxyphenyl)3(4fluorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992985
6(35ditertbutyl4hydroxyphenyl)9(4fluorophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2
Fc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChI=1SC33H37FN2O2c132(23)231521(1624(31(23)38)33(45)6)302927(35259781026(25)3630)1720(1828(29)37)19111322(34)141219h7162030353638H1718H216H3
MFCD03489000
STK068437
ZINC000009424720
ZINC000009425291
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.