Vitas-M small molecule compound
3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK149763
SMILES O=C1CC(CC2=C1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(c1c(N2)cccc1)C(=O)C(F)(F)F)c1ccc(cc1)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 C39H45F3N2O3 MW 646.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45F3N2O3/c1-36(2,3)25-16-14-22(15-17-25)23-20-29-32(31(45)21-23)33(24-18-26(37(4,5)6)34(46)27(19-24)38(7,8)9)44(35(47)39(40,41)42)30-13-11-10-12-28(30)43-29/h10-19,23,33,43,46H,20-21H2,1-9H3InChIKey
ZGKYLVPVPXWPCE-UHFFFAOYSA-NSynonyms
11(35BIS(TERTBUTYL)4HYDROXYPHENYL)3(4(TERTBUTYL)PHENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)11(35ditertbutyl4hydroxyphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(35ditertbutyl4hydroxyphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C)C(=O)C2
InChI=1SC39H45F3N2O3c136(23)25161422(151725)23202932(31(45)2123)33(241826(37(45)6)34(46)27(1924)38(78)9)44(35(47)39(4041)42)301311101228(30)4329h101923334346H2021H219H3
MFCD03613099
ZINC000097949110
ZINC000097949113
Check stock
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Check stock on Vitas-MAvailable files
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