Vitas-M small molecule compound
N-(1-benzyl-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
STL390875
SMILES O=C(CC12CC3CC(C1)CC(C2)(C3)n1ncc(c1)[N+](=O)[O-])Nc1nn(c(c1)C)Cc1ccccc1
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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 C26H30N6O3 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O3/c1-18-7-23(29-30(18)15-19-5-3-2-4-6-19)28-24(33)13-25-9-20-8-21(10-25)12-26(11-20,17-25)31-16-22(14-27-31)32(34)35/h2-7,14,16,20-21H,8-13,15,17H2,1H3,(H,28,29,33)InChIKey
AYTJOGVBVWANGR-UHFFFAOYSA-NSynonyms
1005577-78-51005577785
CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)(N+)(=O)(O)
InChI=1SC26H30N6O3c118723(2930(18)15195324619)2824(33)1325920821(1025)1226(11201725)311622(142731)32(34)35h2714162021H8131517H21H3(H282933)
N(1benzyl5methyl1Hpyrazol3yl)2(3(4nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)acetamide
N(1benzyl5methylpyrazol3yl)2(3(4nitropyrazol1yl)1adamantyl)acetamide
O=C(CC12CC3CC(C1)CC(C2)(C3)n1ncc(c1)(N+)(=O)(O))Nc1nn(c(c1)C)Cc1ccccc1
ZINC000002732661
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