Vitas-M small molecule compound
1,3-dimethyl-4-nitro-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
Catalog ID
STL393906
SMILES O=C(c1n(C)nc(c1[N+](=O)[O-])C)Nc1ccn(n1)Cc1c(F)c(F)cc(c1F)F
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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 C16H12F4N6O3 MW 412.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F4N6O3/c1-7-14(26(28)29)15(24(2)22-7)16(27)21-11-3-4-25(23-11)6-8-12(19)9(17)5-10(18)13(8)20/h3-5H,6H2,1-2H3,(H,21,23,27)InChIKey
UIUKLNMWFUCPRN-UHFFFAOYSA-NSynonyms
512826-55-013dimethyl4nitroN(1(2356tetrafluorobenzyl)1Hpyrazol3yl)1Hpyrazole5carboxamide
25dimethyl4nitroN(1((2356tetrafluorophenyl)methyl)pyrazol3yl)pyrazole3carboxamide
512826550
CC1=NN(C(=C1(N+)(=O)(O))C(=O)NC2=NN(C=C2)CC3=C(C(=CC(=C3F)F)F)F)C
InChI=1SC16H12F4N6O3c1714(26(28)29)15(24(2)227)16(27)21113425(2311)6812(19)9(17)510(18)13(8)20h35H6H212H3(H212327)
MFCD03468822
O=C(c1n(C)nc(c1(N+)(=O)(O))C)Nc1ccn(n1)Cc1c(F)c(F)cc(c1F)F
ZINC000000653120
ZINC00653120
ZINC653120
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