Vitas-M small molecule compound

1-methyl-3-nitro-5-(4H-1,2,4-triazol-3-ylsulfanyl)-1H-1,2,4-triazole

Catalog ID
STK361528
SMILES Cn1nc(nc1Sc1nnc[nH]1)[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 C5H5N7O2S MW 227.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H5N7O2S/c1-11-5(8-3(10-11)12(13)14)15-4-6-2-7-9-4/h2H,1H3,(H,6,7,9)
InChIKey
XTQHFJRXWXAYNO-UHFFFAOYSA-N
Synonyms
1040702-30-4
1040702304
1methyl3nitro5(1H124triazol5ylsulfanyl)124triazole
1methyl3nitro5(4H124triazol3ylsulfanyl)1H124triazole
5((4H124triazol3yl)thio)1methyl3nitro1H124triazole
CN1C(=NC(=N1)(N+)(=O)(O))SC2=NC=NN2
Cn1nc(nc1Sc1nnc(nH)1)(N+)(=O)(O)
InChI=1SC5H5N7O2Sc1115(83(1011)12(13)14)15462794h2H1H3(H679)
MFCD11852725
ZINC000019828130
ZINC19828130

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Available files

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