Vitas-M small molecule compound
3-phenyl-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
STK678502
SMILES COc1cc(cc(c1OC)OC)C1C2=C(Nc3c(N1C(=O)C(F)(F)F)cccc3)CC(CC2=O)c1ccccc1
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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 C30H27F3N2O5 MW 552.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27F3N2O5/c1-38-24-15-19(16-25(39-2)28(24)40-3)27-26-21(13-18(14-23(26)36)17-9-5-4-6-10-17)34-20-11-7-8-12-22(20)35(27)29(37)30(31,32)33/h4-12,15-16,18,27,34H,13-14H2,1-3H3InChIKey
WCEKOHGEXIYCLY-UHFFFAOYSA-NSynonyms
3phenyl10(trifluoroacetyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9phenyl5(222trifluoroacetyl)6(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C(F)(F)F
InChI=1SC30H27F3N2O5c138241519(1625(392)28(24)403)272621(1318(1423(26)36)1795461017)342011781222(20)35(27)29(37)30(3132)33h4121516182734H1314H213H3
MFCD03134064
ZINC000001070637
ZINC000001070645
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