Vitas-M small molecule compound
3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414576
SMILES [O-][N+](=O)c1cn(nc1C)Cc1nnc2n1CCCCC2
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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/c1-9-10(18(19)20)7-16(15-9)8-12-14-13-11-5-3-2-4-6-17(11)12/h7H,2-6,8H2,1H3InChIKey
FUGGNVATCHQBRC-UHFFFAOYSA-NSynonyms
1245772-82-0(O)(N+)(=O)c1cn(nc1C)Cc1nnc2n1CCCCC2
1245772820
3((3methyl4nitro1Hpyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((3methyl4nitropyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=NN(C=C1(N+)(=O)(O))CC2=NN=C3N2CCCCC3
InChI=1SC12H16N6O2c1910(18(19)20)716(159)8121413115324617(11)12h7H268H21H3
MFCD16345370
ZINC000072334159
ZINC72334159
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