Vitas-M small molecule compound
3-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414571
SMILES [O-][N+](=O)c1cn(nc1C)CCc1nnc2n1CCCCC2
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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/c1-10-11(19(20)21)9-17(16-10)8-6-13-15-14-12-5-3-2-4-7-18(12)13/h9H,2-8H2,1H3InChIKey
KUCOXIRQEHKBDW-UHFFFAOYSA-NSynonyms
1245772-19-3(O)(N+)(=O)c1cn(nc1C)CCc1nnc2n1CCCCC2
1245772193
3(2(3methyl4nitro1Hpyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
3(2(3methyl4nitropyrazol1yl)ethyl)6789tetrahydro5H(124)triazolo(43a)azepine
CC1=NN(C=C1(N+)(=O)(O))CCC2=NN=C3N2CCCCC3
InChI=1SC13H18N6O2c11011(19(20)21)917(1610)86131514125324718(12)13h9H28H21H3
MFCD16345365
ZINC000072334167
ZINC72334167
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