Vitas-M small molecule compound

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

Catalog ID
STK273507
SMILES Cn1nc(nc1Sc1ccccn1)[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 C8H7N5O2S MW 237.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7N5O2S/c1-12-8(10-7(11-12)13(14)15)16-6-4-2-3-5-9-6/h2-5H,1H3
InChIKey
BFUZSKZNEWYCID-UHFFFAOYSA-N
Synonyms

1METHYL3NITRO5(2PYRIDYLTHIO)124TRIAZOLE
2((1methyl3nitro1H124triazol5yl)sulfanyl)pyridine
2((2METHYL5NITRO124TRIAZOL3YL)SULFANYL)PYRIDINE
2(2METHYL5NITRO2H(124)TRIAZOL3YLSULFANYL)PYRIDINE
CN1C(=NC(=N1)(N+)(=O)(O))SC2=CC=CC=N2
Cn1nc(nc1Sc1ccccn1)(N+)(=O)(O)
InChI=1SC8H7N5O2Sc1128(107(1112)13(14)15)166423596h25H1H3
MFCD04398853
ZINC000000812499
ZINC00812499
ZINC812499

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Available files

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