Vitas-M small molecule compound
[4-(1,3-benzothiazol-3-ium-2-ylacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
Catalog ID
STL053519
SMILES CCc1cc(C(=O)Cc2sc3c([nH+]2)cccc3)c(cc1OCC(=O)[O-])O
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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 C19H17NO5S MW 371.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO5S/c1-2-11-7-12(14(21)8-16(11)25-10-19(23)24)15(22)9-18-20-13-5-3-4-6-17(13)26-18/h3-8,21H,2,9-10H2,1H3,(H,23,24)InChIKey
CQKCFHDCGITRJJ-UHFFFAOYSA-NSynonyms
300556-91-6(4(13benzothiazol3ium2ylacetyl)2ethyl5hydroxyphenoxy)acetate
(4(2BENZOTHIAZOL2YLACETYL)2ETHYL5HYDROXYPHENOXY)ACETICACID
2(4(2(13BENZOTHIAZOL2YL)ACETYL)2ETHYL5HYDROXYPHENOXY)ACETICACID
2(4(2(13BENZOTHIAZOL3IUM2YL)ACETYL)2ETHYL5HYDROXYPHENOXY)ACETATE
300556916
CCC1=C(C=C(C(=C1)C(=O)CC2=(NH+)C3=CC=CC=C3S2)O)OCC(=O)(O)
CCc1cc(C(=O)Cc2sc3c((nH+)2)cccc3)c(cc1OCC(=O)(O))O
InChI=1SC19H17NO5Sc1211712(14(21)816(11)251019(23)24)15(22)9182013534617(13)2618h3821H2910H21H3(H2324)
MFCD01559871
ZINC000002667123
ZINC2667123
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