Vitas-M small molecule compound
1-{(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-nitroguanidine
Catalog ID
STL295107
SMILES N=C(N[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C
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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 C14H16N6O3 MW 316.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O3/c1-8-4-5-11(6-9(8)2)19-13(21)12(10(3)17-19)7-16-14(15)18-20(22)23/h4-7H,1-3H3,(H3,15,16,18)/b12-7+InChIKey
LSEOLARUTYKQNX-KPKJPENVSA-NSynonyms
1((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)3nitroguanidine
2((E)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)1nitroguanidine
CC1=C(C=C(C=C1)N2C(=O)C(=CN=C(N)N(N+)(=O)(O))C(=N2)C)C
InChI=1SC14H16N6O3c184511(69(8)2)1913(21)12(10(3)1719)71614(15)1820(22)23h47H13H3(H3151618)b127+
MFCD00819174
N=C(N(N+)(=O)(O))NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
ZINC000101141171
ZINC101141171
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