Vitas-M small molecule compound

methyl [(3E)-3-(4-methoxybenzylidene)-1,1-dioxido-4-oxo-3,4-dihydro-2H-1,2-benzothiazin-2-yl]acetate

Catalog ID
STL441437
SMILES COC(=O)CN1/C(=C/c2ccc(cc2)OC)/C(=O)c2c(S1(=O)=O)cccc2

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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 C19H17NO6S MW 387.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO6S/c1-25-14-9-7-13(8-10-14)11-16-19(22)15-5-3-4-6-17(15)27(23,24)20(16)12-18(21)26-2/h3-11H,12H2,1-2H3/b16-11+
InChIKey
GYLMBNFCTDVBKE-LFIBNONCSA-N
Synonyms

COC(=O)CN1C(=Cc2ccc(cc2)OC)C(=O)c2c(S1(=O)=O)cccc2
COC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2CC(=O)OC
InChI=1SC19H17NO6Sc125149713(81014)111619(22)15534617(15)27(2324)20(16)1218(21)262h311H12H212H3b1611+
methyl((3E)3(4methoxybenzylidene)11dioxido4oxo34dihydro2H12benzothiazin2yl)acetate
methyl2((3E)3((4methoxyphenyl)methylidene)114trioxo1$l^(6)2benzothiazin2yl)acetate
MFCD08060306
ZINC000005274936
ZINC5274936

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Available files

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