Vitas-M small molecule compound
3-[1-(4-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414650
SMILES CCC(c1nnc2n1CCCCC2)n1ncc(c1)[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 C13H18N6O2 MW 290.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N6O2/c1-2-11(18-9-10(8-14-18)19(20)21)13-16-15-12-6-4-3-5-7-17(12)13/h8-9,11H,2-7H2,1H3InChIKey
PBKKEKIWJHIQQO-UHFFFAOYSA-NSynonyms
1245772-22-81245772228
3(1(4nitro1Hpyrazol1yl)propyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(1(4nitropyrazol1yl)propyl)6789tetrahydro5H(124)triazolo(43a)azepine
CCC(C1=NN=C2N1CCCCC2)N3C=C(C=N3)(N+)(=O)(O)
CCC(c1nnc2n1CCCCC2)n1ncc(c1)(N+)(=O)(O)
InChI=1SC13H18N6O2c1211(18910(81418)19(20)21)131615126435717(12)13h8911H27H21H3
MFCD16345424
ZINC000072334112
ZINC000072334113
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