Vitas-M small molecule compound
3-(4-chlorophenyl)-11-(3-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK666933
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)Nc2c(N1C(=O)C(F)(F)F)cccc2
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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 C28H22ClF3N2O3 MW 526.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClF3N2O3/c1-37-20-6-4-5-17(13-20)26-25-22(14-18(15-24(25)35)16-9-11-19(29)12-10-16)33-21-7-2-3-8-23(21)34(26)27(36)28(30,31)32/h2-13,18,26,33H,14-15H2,1H3InChIKey
JWGCCRBHNDZREE-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)11(3methoxyphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4chlorophenyl)6(3methoxyphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2C(=O)C(F)(F)F
InChI=1SC28H22ClF3N2O3c1372064517(1320)262522(1418(1524(25)35)1691119(29)121016)3321723823(21)34(26)27(36)28(3031)32h213182633H1415H21H3
MFCD02375492
ZINC000000717147
ZINC000000717151
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