Vitas-M small molecule compound

1-cyclohexyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole

Catalog ID
STK793270
SMILES Cn1nc(nc1Sc1nnnn1C1CCCCC1)[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 C10H14N8O2S MW 310.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H14N8O2S/c1-16-9(11-8(13-16)18(19)20)21-10-12-14-15-17(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
ZIGRQYGWIVSDTD-UHFFFAOYSA-N
Synonyms
695193-12-5
1cyclohexyl5((1methyl3nitro1H124triazol5yl)sulfanyl)1Htetrazole
1cyclohexyl5((1methyl3nitro1H124triazol5yl)thio)1Htetrazole
1CYCLOHEXYL5((2METHYL5NITRO124TRIAZOL3YL)SULFANYL)TETRAZOLE
695193125
CN1C(=NC(=N1)(N+)(=O)(O))SC2=NN=NN2C3CCCCC3
InChI=1SC10H14N8O2Sc1169(118(1316)18(19)20)211012141517(10)7532467h7H26H21H3
MFCD03854918
ZINC000001080451
ZINC01080451
ZINC1080451

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.