Vitas-M small molecule compound

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

Catalog ID
STK666960
SMILES COc1c(OC)cc(cc1OC)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 C30H26F4N2O5 MW 570.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26F4N2O5/c1-39-24-14-18(15-25(40-2)28(24)41-3)17-12-21-26(23(37)13-17)27(16-7-6-8-19(31)11-16)36(29(38)30(32,33)34)22-10-5-4-9-20(22)35-21/h4-11,14-15,17,27,35H,12-13H2,1-3H3
InChIKey
ZDECLTXRBDGWQX-UHFFFAOYSA-N
Synonyms

11(3fluorophenyl)10(222trifluoroacetyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3fluorophenyl)10(trifluoroacetyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3fluorophenyl)5(222trifluoroacetyl)9(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=CC=C5)F)C(=O)C2
InChI=1SC30H26F4N2O5c139241418(1525(402)28(24)413)17122126(23(37)1317)27(1676819(31)1116)36(29(38)30(3233)34)221054920(22)3521h4111415172735H1213H213H3
MFCD02238661
ZINC000000719676
ZINC000000719679

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Available files

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