Vitas-M small molecule compound

3-(4-tert-butylphenyl)-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK089965
SMILES O=C1CC(CC2=C1C(c1ccc(cc1)C(F)(F)F)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 C32H28F6N2O2 MW 586.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28F6N2O2/c1-30(2,3)21-12-8-18(9-13-21)20-16-24-27(26(41)17-20)28(19-10-14-22(15-11-19)31(33,34)35)40(29(42)32(36,37)38)25-7-5-4-6-23(25)39-24/h4-15,20,28,39H,16-17H2,1-3H3
InChIKey
YHNFRTMKFSESIF-UHFFFAOYSA-N
Synonyms

3(4(TERTBUTYL)PHENYL)10(222TRIFLUOROACETYL)11(4(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)10(trifluoroacetyl)11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)5(222trifluoroacetyl)6(4(trifluoromethyl)phenyl)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(F)(F)F)C(=O)C2
InChI=1SC32H28F6N2O2c130(23)2112818(91321)20162427(26(41)1720)28(19101422(151119)31(3334)35)40(29(42)32(3637)38)25754623(25)3924h415202839H1617H213H3
MFCD03488975
O=C1CC(CC2=C1C(c1ccc(cc1)C(F)(F)F)N(c1c(N2)cccc1)C(=O)C(F)(F)F)c1ccc(cc1)C(C)(C)C
STK089965
ZINC000008432782
ZINC000008432785

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Available files

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