Vitas-M small molecule compound

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

Catalog ID
STK083569
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)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 C28H22F4N2O3 MW 510.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F4N2O3/c1-37-20-11-9-16(10-12-20)18-14-22-25(24(35)15-18)26(17-5-4-6-19(29)13-17)34(27(36)28(30,31)32)23-8-3-2-7-21(23)33-22/h2-13,18,26,33H,14-15H2,1H3
InChIKey
CKZBFZYZUNEYFC-UHFFFAOYSA-N
Synonyms

11(3fluorophenyl)3(4methoxyphenyl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3FLUOROPHENYL)3(4METHOXYPHENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(3fluorophenyl)3(4methoxyphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3fluorophenyl)9(4methoxyphenyl)5(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(=CC=C5)F)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)C(=O)C(F)(F)F
InChI=1SC28H22F4N2O3c1372011916(101220)18142225(24(35)1518)26(1754619(29)1317)34(27(36)28(3031)32)23832721(23)3322h213182633H1415H21H3
MFCD02375479
STK083569
ZINC000018137085
ZINC000018137091

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Available files

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