Vitas-M small molecule compound

2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STL286883
SMILES CCCCN1C(=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 C11H13NO3S MW 239.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3
InChIKey
OVHVVWXDKDMZQA-UHFFFAOYSA-N
Synonyms
7499-96-9
2BUTYL11DIOXO12BENZOTHIAZOL3ONE
2butyl12benzothiazol3(2H)one11dioxide
7499969
CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI=1SC11H13NO3Sc12381211(13)9645710(9)16(1214)15h47H238H21H3
MFCD00807755
ZINC000001592975
ZINC1592975

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.