Vitas-M small molecule compound

2-methyl-3-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoxaline 1,4-dioxide

Catalog ID
STK843930
SMILES [O-][n+]1c(c2cccs2)c(C)[n+](c2c1CCCC2)[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 C13H14N2O2S MW 262.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O2S/c1-9-13(12-7-4-8-18-12)15(17)11-6-3-2-5-10(11)14(9)16/h4,7-8H,2-3,5-6H2,1H3
InChIKey
IIMPKJYPPAWWBS-UHFFFAOYSA-N
Synonyms
88819-97-0
(O)(n+)1c(c2cccs2)c(C)(n+)(c2c1CCCC2)(O)
2methyl3(thiophen2yl)5678tetrahydroquinoxaline14dioxide
3methyl4oxido2thiophen2yl5678tetrahydroquinoxalin1ium1oxide
88819970
CC1=C((N+)(=O)C2=C(N1(O))CCCC2)C3=CC=CS3
InChI=1SC13H14N2O2Sc1913(127481812)15(17)11632510(11)14(9)16h478H2356H21H3
MFCD03448317
ZINC000103936481
ZINC01901963
ZINC1901963

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Available files

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