Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK363845
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccc(cc1)C(F)(F)F)c1ccc2c(c1)OCO2

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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 C27H21F3N2O3 MW 478.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F3N2O3/c28-27(29,30)18-8-5-15(6-9-18)26-25-21(31-19-3-1-2-4-20(19)32-26)11-17(12-22(25)33)16-7-10-23-24(13-16)35-14-34-23/h1-10,13,17,26,31-32H,11-12,14H2
InChIKey
RISRGOPCJLNIQE-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(2HBENZO(34D)13DIOXOLEN5YL)11(4(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(13benzodioxol5yl)6(4(trifluoromethyl)phenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(C=C4)C(F)(F)F)C5=CC6=C(C=C5)OCO6
InChI=1SC27H21F3N2O3c2827(2930)188515(6918)262521(3119312420(19)3226)1117(1222(25)33)167102324(1316)35143423h1101317263132H111214H2
MFCD01874748
ZINC000000781092
ZINC000000781095

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Available files

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