Vitas-M small molecule compound
3-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414574
SMILES CC(c1nnc2n1CCCCC2)n1cc(c(n1)C)[N+](=O)[O-]
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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 C13H18N6O2 MW 290.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N6O2/c1-9-11(19(20)21)8-18(16-9)10(2)13-15-14-12-6-4-3-5-7-17(12)13/h8,10H,3-7H2,1-2H3InChIKey
DOXJGTDWCFOOQX-UHFFFAOYSA-NSynonyms
1245771-83-81245771838
3(1(3methyl4nitro1Hpyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(1(3methyl4nitropyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC(c1nnc2n1CCCCC2)n1cc(c(n1)C)(N+)(=O)(O)
CC1=NN(C=C1(N+)(=O)(O))C(C)C2=NN=C3N2CCCCC3
InChI=1SC13H18N6O2c1911(19(20)21)818(169)10(2)131514126435717(12)13h810H37H212H3
MFCD16345368
ZINC000072334165
ZINC000072334166
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