Vitas-M small molecule compound
4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperidine-4-carboxamide
Catalog ID
STL439425
SMILES CN1CCC(CC1)(C(=O)NC12CC3CC(C2)CC(C1)C3)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1cccnc1
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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 C39H51N5O2 MW 621.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H51N5O2/c1-25-34(30-9-5-6-10-32(30)41-25)35-31(37(35,2)3)19-33(45)44(24-26-8-7-13-40-23-26)39(11-14-43(4)15-12-39)36(46)42-38-20-27-16-28(21-38)18-29(17-27)22-38/h5-10,13,23,27-29,31,35,41H,11-12,14-22,24H2,1-4H3,(H,42,46)InChIKey
UBUUVUDADUWAJX-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)1methylN(tricyclo(3311~37~)dec1yl)piperidine4carboxamide
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)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)Cc1cccnc1
InChI=1SC39H51N5O2c12534(309561032(30)4125)3531(37(352)3)1933(45)44(24268713402326)39(111443(4)151239)36(46)423820271628(2138)1829(1727)2238h51013232729313541H1112142224H214H3(H4246)
N(1ADAMANTYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)1METHYLPIPERIDINE4CARBOXAMIDE
ZINC000008696047
ZINC000106103539
Check stock
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Check stock on Vitas-MAvailable files
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