Vitas-M small molecule compound

2-methyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl 4-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl]benzoate

Catalog ID
STL059521
SMILES O=C(c1ccc(cc1)CN1C(=O)c2c(S1(=O)=O)cccc2)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2c1cccc2

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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 C31H22N2O8S2 MW 614.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N2O8S2/c1-32-27(28(34)21-9-3-2-4-10-21)29(23-11-5-7-13-25(23)42(32,37)38)41-31(36)22-17-15-20(16-18-22)19-33-30(35)24-12-6-8-14-26(24)43(33,39)40/h2-18H,19H2,1H3
InChIKey
APGACYCRNGWNII-UHFFFAOYSA-N
Synonyms
879465-74-4
(3benzoyl2methyl11dioxo1$l^(6)2benzothiazin4yl)4((113trioxo12benzothiazol2yl)methyl)benzoate
2methyl11dioxido3(phenylcarbonyl)2H12benzothiazin4yl4((11dioxido3oxo12benzothiazol2(3H)yl)methyl)benzoate
3benzoyl2methyl11dioxido2Hbenzo(e)(12)thiazin4yl4((11dioxido3oxobenzo(d)isothiazol2(3H)yl)methyl)benzoate
879465744
CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5S4(=O)=O)C(=O)C6=CC=CC=C6
InChI=1SC31H22N2O8S2c13227(28(34)2193241021)29(2311571325(23)42(3237)38)4131(36)22171520(161822)193330(35)2412681426(24)43(3339)40h218H19H21H3
MFCD07211597
ZINC000098000384
ZINC98000384

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Available files

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