Vitas-M small molecule compound

2-[4-hydroxy-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone

Catalog ID
STK031248
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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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 C23H16N2O7S MW 464.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O7S/c26-19(15-10-12-17(13-11-15)25(29)30)14-24-21(22(27)16-6-2-1-3-7-16)23(28)18-8-4-5-9-20(18)33(24,31)32/h1-13,28H,14H2
InChIKey
FZEANNZCQTWKJI-UHFFFAOYSA-N
Synonyms
364625-04-7
2(3benzoyl4hydroxy11dioxido2Hbenzo(e)(12)thiazin2yl)1(4nitrophenyl)ethanone
2(4hydroxy11dioxido3(phenylcarbonyl)2H12benzothiazin2yl)1(4nitrophenyl)ethanone
364625047
MFCD02221761
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
STK031248
ZINC000100649859

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Available files

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