Vitas-M small molecule compound

8-nitro-1,2,4,4a,5,6-hexahydro[1,4]thiazino[4,3-a]quinoline-5-carboxylic acid

Catalog ID
STK646172
SMILES OC(=O)C1Cc2cc(ccc2N2C1CSCC2)[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 C13H14N2O4S MW 294.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O4S/c16-13(17)10-6-8-5-9(15(18)19)1-2-11(8)14-3-4-20-7-12(10)14/h1-2,5,10,12H,3-4,6-7H2,(H,16,17)
InChIKey
FLBRQVBTNGJUMJ-UHFFFAOYSA-N
Synonyms
951950-85-9
8nitro1244a56hexahydro(14)thiazino(43a)quinoline5carboxylicacid
951950859
C1CSCC2N1C3=C(CC2C(=O)O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC13H14N2O4Sc1613(17)106859(15(18)19)1211(8)143420712(10)14h1251012H3467H2(H1617)
MFCD09851587
OC(=O)C1Cc2cc(ccc2N2C1CSCC2)(N+)(=O)(O)
ZINC000013690217
ZINC000036351034

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Available files

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