Vitas-M small molecule compound

8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline

Catalog ID
STK508156
SMILES [O-][N+](=O)c1ccc(c2c1cccn2)Sc1nncn1C

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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 C12H9N5O2S MW 287.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N5O2S/c1-16-7-14-15-12(16)20-10-5-4-9(17(18)19)8-3-2-6-13-11(8)10/h2-7H,1H3
InChIKey
RMYCZXRLBFQOFF-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(c2c1cccn2)Sc1nncn1C
8((4METHYL124TRIAZOL3YL)SULFANYL)5NITROQUINOLINE
8((4methyl4H124triazol3yl)sulfanyl)5nitroquinoline
8(4METHYL(124TRIAZOL3YLTHIO))5NITROQUINOLINE
CN1C=NN=C1SC2=C3C(=C(C=C2)(N+)(=O)(O))C=CC=N3
InChI=1SC12H9N5O2Sc1167141512(16)2010549(17(18)19)83261311(8)10h27H1H3
MFCD02018975
ZINC000000310666
ZINC00310666
ZINC310666

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Available files

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