Vitas-M small molecule compound
N-cyclooctyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
Catalog ID
STL184954
SMILES O=C(c1cn[nH]c1c1ccc(cc1)[N+](=O)[O-])NC1CCCCCCC1
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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 C18H22N4O3 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3/c23-18(20-14-6-4-2-1-3-5-7-14)16-12-19-21-17(16)13-8-10-15(11-9-13)22(24)25/h8-12,14H,1-7H2,(H,19,21)(H,20,23)InChIKey
YCWKRAWPVSYDFJ-UHFFFAOYSA-NSynonyms
C1CCCC(CCC1)NC(=O)C2=C(NN=C2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H22N4O3c2318(2014642135714)1612192117(16)1381015(11913)22(24)25h81214H17H2(H1921)(H2023)
MFCD22387096
Ncyclooctyl5(4nitrophenyl)1Hpyrazole4carboxamide
O=C(c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))NC1CCCCCCC1
ZINC000072329370
ZINC72329370
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