Vitas-M small molecule compound
3-(3-nitro-1-propyl-1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414567
SMILES CCCn1nc(c(c1)c1nnc2n1CCCCC2)[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/c1-2-7-17-9-10(13(16-17)19(20)21)12-15-14-11-6-4-3-5-8-18(11)12/h9H,2-8H2,1H3InChIKey
HGVVZMQWBXDXMO-UHFFFAOYSA-NSynonyms
1245772-84-21245772842
3(3nitro1propyl1Hpyrazol4yl)6789tetrahydro5H(124)triazolo(43a)azepine
3(3nitro1propylpyrazol4yl)6789tetrahydro5H(124)triazolo(43a)azepine
CCCN1C=C(C(=N1)(N+)(=O)(O))C2=NN=C3N2CCCCC3
CCCn1nc(c(c1)c1nnc2n1CCCCC2)(N+)(=O)(O)
InChI=1SC13H18N6O2c12717910(13(1617)19(20)21)121514116435818(11)12h9H28H21H3
MFCD16345361
ZINC000072334163
ZINC72334163
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