Vitas-M small molecule compound

3-butyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK213716
SMILES CCCCc1nnc([nH]1)SCc1ccc(cc1)[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 C13H16N4O2S MW 292.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O2S/c1-2-3-4-12-14-13(16-15-12)20-9-10-5-7-11(8-6-10)17(18)19/h5-8H,2-4,9H2,1H3,(H,14,15,16)
InChIKey
CZGDJDCQJLWJBZ-UHFFFAOYSA-N
Synonyms
878979-75-0
3BUTYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
3BUTYL5((4NITROBENZYL)THIO)4H124TRIAZOLE
3BUTYL5((4NITROPHENYL)METHYLTHIO)4H124TRIAZOLE
5BUTYL3((4NITROPHENYL)METHYLSULFANYL)1H124TRIAZOLE
878979750
CCCCC1=NC(=NN1)SCC2=CC=C(C=C2)(N+)(=O)(O)
CCCCc1nnc((nH)1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H16N4O2Sc1234121413(161512)209105711(8610)17(18)19h58H249H21H3(H141516)
MFCD07087328
ZINC000013523026
ZINC13523026
ZINC18218149

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Available files

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