Vitas-M small molecule compound
3-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Catalog ID
STL414575
SMILES COc1nn(cc1[N+](=O)[O-])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 C12H16N6O3 MW 292.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N6O3/c1-21-12-9(18(19)20)7-16(15-12)8-11-14-13-10-5-3-2-4-6-17(10)11/h7H,2-6,8H2,1H3InChIKey
INAHLKRMDWGPHW-UHFFFAOYSA-NSynonyms
1245772-20-61245772206
3((3methoxy4nitro1Hpyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
3((3methoxy4nitropyrazol1yl)methyl)6789tetrahydro5H(124)triazolo(43a)azepine
COC1=NN(C=C1(N+)(=O)(O))CC2=NN=C3N2CCCCC3
COc1nn(cc1(N+)(=O)(O))Cc1nnc2n1CCCCC2
InChI=1SC12H16N6O3c121129(18(19)20)716(1512)8111413105324617(10)11h7H268H21H3
MFCD16345369
ZINC000072334169
ZINC72334169
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