Vitas-M small molecule compound

[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid

Catalog ID
STK066887
SMILES OC(=O)CSc1n(C)cnc1[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 C6H7N3O4S MW 217.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H7N3O4S/c1-8-3-7-5(9(12)13)6(8)14-2-4(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey
TUQQNQSADKYHNI-UHFFFAOYSA-N
Synonyms
6339-60-2
((1METHYL4NITRO1HIMIDAZOL5YL)SULFANYL)ACETICACID
((4(HYDROXY(OXIDO)AMINO)1METHYL1HIMIDAZOL5YL)THIO)ACETICACID
(3METHYL5NITRO3HIMIDAZOL4YLSULFANYL)ACETICACID
2((1methyl4nitro1Himidazol5yl)thio)aceticacid
2(1METHYL4NITROIMIDAZOL5YLTHIO)ACETICACID
2(3METHYL5NITROIMIDAZOL4YL)SULFANYLACETICACID
6339602
ACETICACID(1METHYL4NITRO5IMIDAZOLYLTHIO)
ACETICACID(8CI)((1METHYL4NITROIMIDAZOL5YL)THIO)
ACETICACID(9CI)((1METHYL4NITRO1HIMIDAZOL5YL)THIO)
CN1C=NC(=C1SCC(=O)O)(N+)(=O)(O)
InChI=1SC6H7N3O4Sc18375(9(12)13)6(8)1424(10)11h3H2H21H3(H1011)
MFCD00605688
OC(=O)CSc1n(C)cnc1(N+)(=O)(O)
STK066887
ZINC000003953954
ZINC3953954

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Available files

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