Vitas-M small molecule compound
7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677930
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)C(F)(F)F)ccc(c2)Cl
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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 C28H22ClF3N2O3 MW 526.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClF3N2O3/c1-37-20-9-5-8-17(12-20)26-25-22(13-18(14-24(25)35)16-6-3-2-4-7-16)33-21-15-19(29)10-11-23(21)34(26)27(36)28(30,31)32/h2-12,15,18,26,33H,13-14H2,1H3InChIKey
OEDBYRNSMVLIRR-UHFFFAOYSA-NSynonyms
2chloro6(3methoxyphenyl)9phenyl5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
7chloro11(3methoxyphenyl)3phenyl10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=C(N2C(=O)C(F)(F)F)C=CC(=C5)Cl
InChI=1SC28H22ClF3N2O3c1372095817(1220)262522(1318(1424(25)35)166324716)33211519(29)101123(21)34(26)27(36)28(3031)32h21215182633H1314H21H3
MFCD03036086
ZINC000000718255
ZINC000000718258
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