Vitas-M small molecule compound
3-(4-methylphenyl)-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK135768
SMILES COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)C)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 C31H29F3N2O5 MW 566.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29F3N2O5/c1-17-9-11-18(12-10-17)19-13-22-27(24(37)14-19)28(20-15-25(39-2)29(41-4)26(16-20)40-3)36(30(38)31(32,33)34)23-8-6-5-7-21(23)35-22/h5-12,15-16,19,28,35H,13-14H2,1-4H3InChIKey
UCEDUESVBAWLLV-UHFFFAOYSA-NSynonyms
3(4methylphenyl)10(trifluoroacetyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)5(222trifluoroacetyl)6(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C2
InChI=1SC31H29F3N2O5c11791118(121017)19132227(24(37)1419)28(201525(392)29(414)26(1620)403)36(30(38)31(3233)34)23865721(23)3522h5121516192835H1314H214H3
MFCD02375474
ZINC000000985919
ZINC000000985922
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