Vitas-M small molecule compound
3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK363741
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)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 C27H23F3N2O2 MW 464.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O2/c1-34-20-12-8-16(9-13-20)18-14-23-25(24(33)15-18)26(32-22-5-3-2-4-21(22)31-23)17-6-10-19(11-7-17)27(28,29)30/h2-13,18,26,31-32H,14-15H2,1H3InChIKey
PHUWDPQDGBLXBV-UHFFFAOYSA-NSynonyms
5983-12-03(4methoxyphenyl)11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5983120
9(4methoxyphenyl)6(4(trifluoromethyl)phenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F)C(=O)C2
InChI=1SC27H23F3N2O2c1342012816(91320)18142325(24(33)1518)26(3222532421(22)3123)1761019(11717)27(2829)30h21318263132H1415H21H3
MFCD01605881
ZINC000008753407
ZINC000008753425
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