Vitas-M small molecule compound
10-(cyclopropylcarbonyl)-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
STK261675
SMILES Fc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=O)C1CC1
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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 C37H41FN2O3 MW 580.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41FN2O3/c1-36(2,3)26-17-24(18-27(34(26)42)37(4,5)6)33-32-29(19-23(20-31(32)41)21-13-15-25(38)16-14-21)39-28-9-7-8-10-30(28)40(33)35(43)22-11-12-22/h7-10,13-18,22-23,33,39,42H,11-12,19-20H2,1-6H3InChIKey
DHTWFVCVWNPDOB-UHFFFAOYSA-NSynonyms
10(cyclopropylcarbonyl)11(35ditertbutyl4hydroxyphenyl)3(4fluorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(35BIS(TERTBUTYL)4HYDROXYPHENYL)10(CYCLOPROPYLCARBONYL)3(4FLUOROPHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
5(cyclopropanecarbonyl)6(35ditertbutyl4hydroxyphenyl)9(4fluorophenyl)891011tetrahydro6Hbenzo(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=C5N2C(=O)C6CC6
InChI=1SC37H41FN2O3c136(23)261724(1827(34(26)42)37(45)6)333229(1923(2031(32)41)21131525(38)161421)39289781030(28)40(33)35(43)22111222h71013182223333942H11121920H216H3
MFCD03946447
ZINC000005944320
ZINC000005944326
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.