Vitas-M small molecule compound

8-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile 5,5-dioxide

Catalog ID
STL133542
SMILES N#CC1=C2CCCN2c2c(S1(=O)=O)ccc(c2)Br

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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 C12H9BrN2O2S MW 325.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O2S/c13-8-3-4-11-10(6-8)15-5-1-2-9(15)12(7-14)18(11,16)17/h3-4,6H,1-2,5H2
InChIKey
KFPCUWOJDXQCNL-UHFFFAOYSA-N
Synonyms
1325305-77-8
1325305778
8bromo23dihydro1Hpyrrolo(21c)(14)benzothiazine4carbonitrile55dioxide
8bromo55dioxo23dihydro1Hpyrrolo(21c)(14)benzothiazine4carbonitrile
C1CC2=C(S(=O)(=O)C3=C(N2C1)C=C(C=C3)Br)C#N
InChI=1SC12H9BrN2O2Sc138341110(68)155129(15)12(714)18(1116)17h346H125H2
MFCD19705943
ZINC000067172855
ZINC67172855

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Available files

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