Vitas-M small molecule compound
3-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414920
SMILES Cc1nc(cn1Cc1nnc2n1CCCCC2)[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/c1-9-13-11(18(19)20)7-16(9)8-12-15-14-10-5-3-2-4-6-17(10)12/h7H,2-6,8H2,1H3InChIKey
CTUDJFRSSBLGGP-UHFFFAOYSA-NSynonyms
1245771-54-31245771543
3((2methyl4nitro1Himidazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((2methyl4nitroimidazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=NC(=CN1CC2=NN=C3N2CCCCC3)(N+)(=O)(O)
Cc1nc(cn1Cc1nnc2n1CCCCC2)(N+)(=O)(O)
InChI=1SC12H16N6O2c191311(18(19)20)716(9)8121514105324617(10)12h7H268H21H3
MFCD18374165
ZINC000072334130
ZINC72334130
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