Vitas-M small molecule compound
3-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414640
SMILES Cn1nc(c(c1C)[N+](=O)[O-])c1nnc2n1CCCCC2
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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/c1-8-11(18(19)20)10(15-16(8)2)12-14-13-9-6-4-3-5-7-17(9)12/h3-7H2,1-2H3InChIKey
UPHKKAGDFDRIOL-UHFFFAOYSA-NSynonyms
1245772-74-01245772740
3(15dimethyl4nitro1Hpyrazol3yl)6789tetrahydro5H(124)triazolo(43a)azepine
3(15dimethyl4nitropyrazol3yl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=C(C(=NN1C)C2=NN=C3N2CCCCC3)(N+)(=O)(O)
Cn1nc(c(c1C)(N+)(=O)(O))c1nnc2n1CCCCC2
InChI=1SC12H16N6O2c1811(18(19)20)10(1516(8)2)12141396435717(9)12h37H212H3
MFCD16345414
ZINC000072334100
ZINC72334100
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