Vitas-M small molecule compound
3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414568
SMILES Cc1cc(nn1CCc1nnc2n1CCCCC2)[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/c1-10-9-13(19(20)21)16-18(10)8-6-12-15-14-11-5-3-2-4-7-17(11)12/h9H,2-8H2,1H3InChIKey
MDFJANIOHLYVOT-UHFFFAOYSA-NSynonyms
1245771-82-71245771827
3(2(5methyl3nitro1Hpyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(2(5methyl3nitropyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=CC(=NN1CCC2=NN=C3N2CCCCC3)(N+)(=O)(O)
Cc1cc(nn1CCc1nnc2n1CCCCC2)(N+)(=O)(O)
InChI=1SC13H18N6O2c110913(19(20)21)1618(10)86121514115324717(11)12h9H28H21H3
MFCD16345362
ZINC000072334164
ZINC72334164
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