Vitas-M small molecule compound
3-[3-(4-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414572
SMILES [O-][N+](=O)c1nn(cc1C)CCCc1nnc2n1CCCCC2
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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 C14H20N6O2 MW 304.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N6O2/c1-11-10-18(17-14(11)20(21)22)8-5-7-13-16-15-12-6-3-2-4-9-19(12)13/h10H,2-9H2,1H3InChIKey
KURKAKNMSMXSCO-UHFFFAOYSA-NSynonyms
1245772-85-3(O)(N+)(=O)c1nn(cc1C)CCCc1nnc2n1CCCCC2
1245772853
3(3(4methyl3nitro1Hpyrazol1yl)propyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(3(4methyl3nitropyrazol1yl)propyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=CN(N=C1(N+)(=O)(O))CCCC2=NN=C3N2CCCCC3
InChI=1SC14H20N6O2c1111018(1714(11)20(21)22)857131615126324919(12)13h10H29H21H3
MFCD16345366
ZINC000072334173
ZINC72334173
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