Vitas-M small molecule compound

1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 2-bromobenzoate

Catalog ID
STL011993
SMILES C=CCN1C(=C(OC(=O)c2ccccc2Br)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 C25H18BrNO5S MW 524.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrNO5S/c1-2-16-27-22(23(28)17-10-4-3-5-11-17)24(19-13-7-9-15-21(19)33(27,30)31)32-25(29)18-12-6-8-14-20(18)26/h2-15H,1,16H2
InChIKey
RGKSOYUYZNMYDT-UHFFFAOYSA-N
Synonyms
587011-78-7
(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)2bromobenzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl2bromobenzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl2bromobenzoate
587011787
C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CC=C4
InChI=1SC25H18BrNO5Sc12162722(23(28)17104351117)24(1913791521(19)33(2730)31)3225(29)1812681420(18)26h215H116H2
MFCD04033378
ZINC000002396893
ZINC2396893

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Available files

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