Vitas-M small molecule compound

3-[(4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Catalog ID
STL414639
SMILES [O-][N+](=O)c1cnn(c1)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 C11H14N6O2 MW 262.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N6O2/c18-17(19)9-6-12-15(7-9)8-11-14-13-10-4-2-1-3-5-16(10)11/h6-7H,1-5,8H2
InChIKey
AFYYRLQUTPSZJW-UHFFFAOYSA-N
Synonyms
1245771-56-5
(O)(N+)(=O)c1cnn(c1)Cc1nnc2n1CCCCC2
1245771565
3((4nitro1Hpyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((4nitropyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
C1CCC2=NN=C(N2CC1)CN3C=C(C=N3)(N+)(=O)(O)
InChI=1SC11H14N6O2c1817(19)961215(79)8111413104213516(10)11h67H158H2
MFCD16345413
ZINC000072334099
ZINC72334099

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Available files

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