Vitas-M small molecule compound
2-{(1E,3E)-4-[acetyl(phenyl)amino]buta-1,3-dien-1-yl}-3-ethyl-6-methoxy-1,3-benzothiazol-3-ium
Catalog ID
STK874226
SMILES COc1ccc2c(c1)sc([n+]2CC)/C=C/C=C/N(c1ccccc1)C(=O)C
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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 C22H23N2O2S MW 379.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N2O2S/c1-4-23-20-14-13-19(26-3)16-21(20)27-22(23)12-8-9-15-24(17(2)25)18-10-6-5-7-11-18/h5-16H,4H2,1-3H3/q+1InChIKey
GRDSXUGBDULMBW-UHFFFAOYSA-NSynonyms
2((1E3E)4(acetyl(phenyl)amino)buta13dien1yl)3ethyl6methoxy13benzothiazol3ium
3ethyl6methoxy2((1E3E)4(Nphenylacetamido)buta13dien1yl)benzo(d)thiazol3iumiodide
CC(N+)1=C(SC2=C1C=CC(=C2)OC)C=CC=CN(C3=CC=CC=C3)C(=O)C
COc1ccc2c(c1)sc((n+)2CC)C=CC=CN(c1ccccc1)C(=O)C
COc1ccc2c(c1)sc((n+)2CC)C=CC=CN(c1ccccc1)C(=O)C(I)
InChI=1SC22H23N2O2Sc142320141319(263)1621(20)2722(23)12891524(17(2)25)18106571118h516H4H213H3q+1
N((1E3E)4(3ETHYL6METHOXY13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)NPHENYLACETAMIDE
N(4(3ETHYL6METHOXY13BENZOTHIAZOL3IUM2YL)BUTA13DIENYL)NPHENYLACETAMIDE
ZINC000001827106
ZINC01827106
ZINC1827106
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