Vitas-M small molecule compound
N~2~-{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}-2-methyl-N-tricyclo[3.3.1.1~3,7~]dec-1-yl-N~2~-[4-(trifluoromethyl)benzyl]alaninamide
Catalog ID
STL439363
SMILES O=C(N(C(C(=O)NC12CC3CC(C2)CC(C1)C3)(C)C)Cc1ccc(cc1)C(F)(F)F)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2
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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 C38H46F3N3O2 MW 633.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46F3N3O2/c1-22-32(28-8-6-7-9-30(28)42-22)33-29(35(33,2)3)17-31(45)44(21-23-10-12-27(13-11-23)38(39,40)41)36(4,5)34(46)43-37-18-24-14-25(19-37)16-26(15-24)20-37/h6-13,24-26,29,33,42H,14-21H2,1-5H3,(H,43,46)InChIKey
CUBMIZLSVCSFCC-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=C(C=C4)C(F)(F)F)C(C)(C)C(=O)NC56CC7CC(C5)CC(C7)C6
InChI=1SC38H46F3N3O2c12232(28867930(28)4222)3329(35(332)3)1731(45)44(2123101227(131123)38(3940)41)36(45)34(46)433718241425(1937)1626(1524)2037h6132426293342H1421H215H3(H4346)
N(1ADAMANTYL)2((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((4(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)2METHYLPROPANAMIDE
N~2~((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)2methylNtricyclo(3311~37~)dec1ylN~2~(4(trifluoromethyl)benzyl)alaninamide
O=C(N(C(C(=O)NC12CC3CC(C2)CC(C1)C3)(C)C)Cc1ccc(cc1)C(F)(F)F)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000008749055
ZINC000105954127
Check stock
See real-time availability and sample size for STL439363 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.