Vitas-M small molecule compound
3-[(4-chloro-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
STL414648
SMILES Cc1n(Cc2nnc3n2CCCCC3)nc(c1Cl)[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 C12H15ClN6O2 MW 310.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15ClN6O2/c1-8-11(13)12(19(20)21)16-18(8)7-10-15-14-9-5-3-2-4-6-17(9)10/h2-7H2,1H3InChIKey
AXEIYRSIZGZFLL-UHFFFAOYSA-NSynonyms
1245771-99-61245771996
3((4chloro5methyl3nitro1Hpyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((4chloro5methyl3nitropyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=C(C(=NN1CC2=NN=C3N2CCCCC3)(N+)(=O)(O))Cl
Cc1n(Cc2nnc3n2CCCCC3)nc(c1Cl)(N+)(=O)(O)
InChI=1SC12H15ClN6O2c1811(13)12(19(20)21)1618(8)710151495324617(9)10h27H21H3
MFCD16345422
ZINC000072334109
ZINC72334109
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