Vitas-M small molecule compound

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

Catalog ID
STL352655
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(N(C)C)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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-26(2)23-20-10-6-7-11-22(20)35(33,34)27(24(23)25(30)18-8-4-3-5-9-18)16-21(29)17-12-14-19(15-13-17)28(31)32/h3-15H,16H2,1-2H3
InChIKey
QDZQVNGPYQTXPO-UHFFFAOYSA-N
Synonyms
371211-55-1
2(3benzoyl4(dimethylamino)11dioxido2Hbenzo(e)(12)thiazin2yl)1(4nitrophenyl)ethanone
2(3benzoyl4(dimethylamino)11dioxo1$l^(6)2benzothiazin2yl)1(4nitrophenyl)ethanone
2(4(dimethylamino)11dioxido3(phenylcarbonyl)2H12benzothiazin2yl)1(4nitrophenyl)ethanone
371211551
CN(C)C1=C(N(S(=O)(=O)C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=CC=C4
InChI=1SC25H21N3O6Sc126(2)232010671122(20)35(3334)27(24(23)25(30)188435918)1621(29)17121419(151317)28(31)32h315H16H212H3
MFCD02221590
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=C(N(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
ZINC000002315659
ZINC02315659
ZINC2315659

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Available files

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