Vitas-M small molecule compound
1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-bromobenzoate
Catalog ID
STL352671
SMILES C=CCN1C(=C(OC(=O)c2ccc(cc2)Br)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)17-8-4-3-5-9-17)24(20-10-6-7-11-21(20)33(27,30)31)32-25(29)18-12-14-19(26)15-13-18/h2-15H,1,16H2InChIKey
RNOQYBCNEWUVNC-UHFFFAOYSA-NSynonyms
578758-57-3(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)4bromobenzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl4bromobenzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl4bromobenzoate
3BENZOYL11DIOXIDO2(PROP2EN1YL)2H12BENZOTHIAZIN4YL4BROMOBENZOATE
578758573
C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4
InChI=1SC25H18BrNO5Sc12162722(23(28)178435917)24(2010671121(20)33(2730)31)3225(29)18121419(26)151318h215H116H2
MFCD04025304
ZINC000002371933
ZINC2371933
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