Vitas-M small molecule compound
N-[1-(2-fluorobenzyl)-5-methyl-1H-pyrazol-3-yl]-2-[3-(4-nitro-1H-pyrazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
Catalog ID
STL397275
SMILES O=C(CC12CC3CC(C1)CC(C2)(C3)n1ncc(c1)[N+](=O)[O-])Nc1nn(c(c1)C)Cc1ccccc1F
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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 C26H29FN6O3 MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN6O3/c1-17-6-23(30-31(17)14-20-4-2-3-5-22(20)27)29-24(34)12-25-8-18-7-19(9-25)11-26(10-18,16-25)32-15-21(13-28-32)33(35)36/h2-6,13,15,18-19H,7-12,14,16H2,1H3,(H,29,30,34)InChIKey
LWOTUWMJFOLZPK-UHFFFAOYSA-NSynonyms
1005577-68-31005577683
CC1=CC(=NN1CC2=CC=CC=C2F)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)(N+)(=O)(O)
InChI=1SC26H29FN6O3c117623(3031(17)1420423522(20)27)2924(34)1225818719(925)1126(10181625)321521(132832)33(35)36h2613151819H7121416H21H3(H293034)
N(1((2fluorophenyl)methyl)5methylpyrazol3yl)2(3(4nitropyrazol1yl)1adamantyl)acetamide
N(1(2fluorobenzyl)5methyl1Hpyrazol3yl)2(3(4nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)acetamide
O=C(CC12CC3CC(C1)CC(C2)(C3)n1ncc(c1)(N+)(=O)(O))Nc1nn(c(c1)C)Cc1ccccc1F
ZINC000002732439
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