Vitas-M small molecule compound
4-({[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}[4-(trifluoromethyl)benzyl]amino)-1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperidine-4-carboxamide
Catalog ID
STL439431
SMILES CN1CCC(CC1)(C(=O)NC12CC3CC(C2)CC(C1)C3)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccc(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 C41H51F3N4O2 MW 688.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H51F3N4O2/c1-25-35(31-7-5-6-8-33(31)45-25)36-32(38(36,2)3)20-34(49)48(24-26-9-11-30(12-10-26)41(42,43)44)40(13-15-47(4)16-14-40)37(50)46-39-21-27-17-28(22-39)19-29(18-27)23-39/h5-12,27-29,32,36,45H,13-24H2,1-4H3,(H,46,50)InChIKey
HKBHXZSLPKDQER-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(4(trifluoromethyl)benzyl)amino)1methylN(tricyclo(3311~37~)dec1yl)piperidine4carboxamide
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=C(C=C4)C(F)(F)F)C5(CCN(CC5)C)C(=O)NC67CC8CC(C6)CC(C8)C7
CN1CCC(CC1)(C(=O)NC12CC3CC(C2)CC(C1)C3)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccc(cc1)C(F)(F)F
InChI=1SC41H51F3N4O2c12535(31756833(31)4525)3632(38(362)3)2034(49)48(242691130(121026)41(4243)44)40(131547(4)161440)37(50)463921271728(2239)1929(1827)2339h5122729323645H1324H214H3(H4650)
N(1ADAMANTYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((4(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)1METHYLPIPERIDINE4CARBOXAMIDE
ZINC000150346646
ZINC000150639356
Check stock
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