Vitas-M small molecule compound
4,7,8-tris(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-ethanopyrido[2,1-b][1,3]benzothiazol-10-ium
Catalog ID
STL574155
SMILES COC(=O)C1C(C(=O)OC)C2CCC1C1C2Sc2[n+]1cccc2C(=O)OC
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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 C19H22NO6S MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22NO6S/c1-24-17(21)11-5-4-8-20-14-9-6-7-10(15(14)27-16(11)20)13(19(23)26-3)12(9)18(22)25-2/h4-5,8-10,12-15H,6-7H2,1-3H3/q+1InChIKey
YNGCCQJHEMKPRB-UHFFFAOYSA-NSynonyms
46948986
478tris(methoxycarbonyl)5a67899ahexahydro69ethanopyrido(21b)(13)benzothiazol10ium
InChI=1SC19H22NO6Sc12417(21)11548201496710(15(14)2716(11)20)13(19(23)263)12(9)18(22)252h458101215H67H213H3q+1
trimethyl9thia3azoniatetracyclo(9220210038)pentadeca357triene71213tricarboxylate
ZINC000106697298
ZINC000247867769
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