Vitas-M small molecule compound
1-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(2-fluorobenzyl)amino]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)cyclopentanecarboxamide
Catalog ID
STL439376
SMILES O=C(N(C1(CCCC1)C(=O)NC12CC3CC(C2)CC(C1)C3)Cc1ccccc1F)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 C39H48FN3O2 MW 609.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H48FN3O2/c1-24-34(29-11-5-7-13-32(29)41-24)35-30(37(35,2)3)19-33(44)43(23-28-10-4-6-12-31(28)40)39(14-8-9-15-39)36(45)42-38-20-25-16-26(21-38)18-27(17-25)22-38/h4-7,10-13,25-27,30,35,41H,8-9,14-23H2,1-3H3,(H,42,45)InChIKey
GLDQTLWWTUGOPI-UHFFFAOYSA-NSynonyms
1(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(2fluorobenzyl)amino)N(tricyclo(3311~37~)dec1yl)cyclopentanecarboxamide
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4F)C5(CCCC5)C(=O)NC67CC8CC(C6)CC(C8)C7
InChI=1SC39H48FN3O2c12434(2911571332(29)4124)3530(37(352)3)1933(44)43(232810461231(28)40)39(14891539)36(45)423820251626(2138)1827(1725)2238h4710132527303541H891423H213H3(H4245)
N(1ADAMANTYL)1((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)CYCLOPENTANE1CARBOXAMIDE
O=C(N(C1(CCCC1)C(=O)NC12CC3CC(C2)CC(C1)C3)Cc1ccccc1F)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000008749135
ZINC000108835987
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.