Vitas-M small molecule compound

3-(4-methoxyphenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK067567
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C(F)(F)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 C26H21F3N2O3S MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F3N2O3S/c1-34-17-10-8-15(9-11-17)16-13-19-23(21(32)14-16)24(22-7-4-12-35-22)31(25(33)26(27,28)29)20-6-3-2-5-18(20)30-19/h2-12,16,24,30H,13-14H2,1H3
InChIKey
YLJBCKABLOJBIV-UHFFFAOYSA-N
Synonyms

3(4METHOXYPHENYL)11(2THIENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4methoxyphenyl)11(thiophen2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methoxyphenyl)6thiophen2yl5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CS5)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C(F)(F)F
InChI=1SC26H21F3N2O3Sc1341710815(91117)16131923(21(32)1416)24(2274123522)31(25(33)26(2728)29)20632518(20)3019h212162430H1314H21H3
MFCD02375476
STK067567
ZINC000000893628
ZINC000000893635

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Available files

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