Vitas-M small molecule compound
2-(4-hydroxybutyl)-3-methyl-1,3-benzothiazol-3-ium
Catalog ID
STL147245
SMILES OCCCCc1sc2c([n+]1C)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 C12H16NOS MW 222.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16NOS/c1-13-10-6-2-3-7-11(10)15-12(13)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3/q+1InChIKey
AZTXCQYJAJMXBZ-UHFFFAOYSA-NSynonyms
2(4hydroxybutyl)3methyl13benzothiazol3ium
2(4hydroxybutyl)3methylbenzo(d)thiazol3iumiodide
4(3METHYL13BENZOTHIAZOL3IUM2YL)BUTAN1OL
4(3METHYLBENZOTHIAZOL2YL)BUTAN1OL
C(N+)1=C(SC2=CC=CC=C21)CCCCO
InChI=1SC12H16NOSc11310623711(10)1512(13)845914h236714H4589H21H3q+1
MFCD03665926
OCCCCc1sc2c((n+)1C)cccc2
OCCCCc1sc2c((n+)1C)cccc2(I)
ZINC000001832770
ZINC01832770
ZINC1832770
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