Vitas-M small molecule compound
3-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414566
SMILES COc1nn(cc1[N+](=O)[O-])C(c1nnc2n1CCCCC2)C
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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 C13H18N6O3 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N6O3/c1-9(18-8-10(19(20)21)13(16-18)22-2)12-15-14-11-6-4-3-5-7-17(11)12/h8-9H,3-7H2,1-2H3InChIKey
VTASYOJSDFTODN-UHFFFAOYSA-NSynonyms
1245772-49-91245772499
3(1(3methoxy4nitro1Hpyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(1(3methoxy4nitropyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC(C1=NN=C2N1CCCCC2)N3C=C(C(=N3)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))C(c1nnc2n1CCCCC2)C
InChI=1SC13H18N6O3c19(18810(19(20)21)13(1618)222)121514116435717(11)12h89H37H212H3
MFCD16345360
ZINC000072334176
ZINC000072334177
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