Vitas-M small molecule compound

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

Catalog ID
STK132123
SMILES COc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(F)(F)F)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 C29H22F6N2O3 MW 560.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22F6N2O3/c1-40-20-12-8-17(9-13-20)26-25-22(36-21-4-2-3-5-23(21)37(26)27(39)29(33,34)35)14-18(15-24(25)38)16-6-10-19(11-7-16)28(30,31)32/h2-13,18,26,36H,14-15H2,1H3
InChIKey
MLBISLNNBTVRAL-UHFFFAOYSA-N
Synonyms

11(4methoxyphenyl)10(222trifluoroacetyl)3(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4methoxyphenyl)10(trifluoroacetyl)3(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4methoxyphenyl)5(222trifluoroacetyl)9(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C(F)(F)F)NC5=CC=CC=C5N2C(=O)C(F)(F)F
InChI=1SC29H22F6N2O3c1402012817(91320)262522(3621423523(21)37(26)27(39)29(3334)35)1418(1524(25)38)1661019(11716)28(3031)32h213182636H1415H21H3
MFCD02235306
ZINC000008433084
ZINC000008433087

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Available files

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