Vitas-M small molecule compound
3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414645
SMILES Cc1cc(nn1Cc1nnc2n1CCCCC2)[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 C12H16N6O2 MW 276.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N6O2/c1-9-7-11(18(19)20)15-17(9)8-12-14-13-10-5-3-2-4-6-16(10)12/h7H,2-6,8H2,1H3InChIKey
MWWXCNDZUWESAC-UHFFFAOYSA-NSynonyms
1245773-07-21245773072
3((5methyl3nitro1Hpyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((5methyl3nitropyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=CC(=NN1CC2=NN=C3N2CCCCC3)(N+)(=O)(O)
Cc1cc(nn1Cc1nnc2n1CCCCC2)(N+)(=O)(O)
InChI=1SC12H16N6O2c19711(18(19)20)1517(9)8121413105324616(10)12h7H268H21H3
MFCD16345419
ZINC000072334106
ZINC72334106
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