Vitas-M small molecule compound

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

Catalog ID
STK207522
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)Cl)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 C29H24ClF3N2O4 MW 556.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClF3N2O4/c1-38-24-12-9-17(15-25(24)39-2)18-13-21-26(23(36)14-18)27(16-7-10-19(30)11-8-16)35(28(37)29(31,32)33)22-6-4-3-5-20(22)34-21/h3-12,15,18,27,34H,13-14H2,1-2H3
InChIKey
PDIOPRJTKIVOGS-UHFFFAOYSA-N
Synonyms

11(4chlorophenyl)3(34dimethoxyphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(4CHLOROPHENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(4chlorophenyl)9(34dimethoxyphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=C(C=C5)Cl)C(=O)C2)OC
InChI=1SC29H24ClF3N2O4c1382412917(1525(24)392)18132126(23(36)1418)27(1671019(30)11816)35(28(37)29(3132)33)22643520(22)3421h31215182734H1314H212H3
MFCD03488677
ZINC000008756433
ZINC000018144147

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Available files

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