Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK317525
SMILES O=C(c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3)Nc1ccn(n1)Cc1c(F)cccc1Cl
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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 C24H24ClFN6O3 MW 498.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClFN6O3/c25-18-2-1-3-19(26)17(18)12-30-5-4-21(28-30)27-23(33)22-20(32(34)35)13-31(29-22)24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,13-16H,6-12H2,(H,27,28,33)InChIKey
ICBJIGAHIOKIDU-UHFFFAOYSA-NSynonyms
492457-17-71(1ADAMANTYL)N(1((2CHLORO6FLUOROPHENYL)METHYL)PYRAZOL3YL)4NITROPYRAZOLE3CARBOXAMIDE
492457177
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=C(C=CC=C6Cl)F)(N+)(=O)(O)
InChI=1SC24H24ClFN6O3c251821319(26)17(18)12305421(2830)2723(33)2220(32(34)35)1331(2922)24914615(1024)816(714)1124h151316H612H2(H272833)
MFCD02243994
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
O=C(c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3)Nc1ccn(n1)Cc1c(F)cccc1Cl
ZINC000012649928
ZINC12649928
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