Vitas-M small molecule compound
3-(4-tert-butylphenyl)-10-(cyclopropylcarbonyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK261669
SMILES O=C1CC(CC2=C1C(c1ccc(cc1)C(F)(F)F)N(C(=O)C1CC1)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C
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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 C34H33F3N2O2 MW 558.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33F3N2O2/c1-33(2,3)24-14-10-20(11-15-24)23-18-27-30(29(40)19-23)31(21-12-16-25(17-13-21)34(35,36)37)39(32(41)22-8-9-22)28-7-5-4-6-26(28)38-27/h4-7,10-17,22-23,31,38H,8-9,18-19H2,1-3H3InChIKey
VTGSPUMAADDXIP-UHFFFAOYSA-NSynonyms
3(4(TERTBUTYL)PHENYL)10(CYCLOPROPYLCARBONYL)11(4(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)10(cyclopropylcarbonyl)11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)5(cyclopropanecarbonyl)6(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5CC5)C6=CC=C(C=C6)C(F)(F)F)C(=O)C2
InChI=1SC34H33F3N2O2c133(23)24141020(111524)23182730(29(40)1923)31(21121625(171321)34(3536)37)39(32(41)228922)28754626(28)3827h47101722233138H891819H213H3
MFCD03946438
ZINC000005944486
ZINC000005944504
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.