Vitas-M small molecule compound
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK206185
SMILES CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2
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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 C21H21NO7S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7S/c1-2-26-21(25)18-13-5-3-4-6-16(13)30-19(18)22-17(23)10-27-20(24)12-7-8-14-15(9-12)29-11-28-14/h7-9H,2-6,10-11H2,1H3,(H,22,23)InChIKey
KKYNDDXUYSKPDN-UHFFFAOYSA-NSynonyms
(2((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)13benzodioxole5carboxylate
2((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)2oxoethyl13benzodioxole5carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21NO7Sc122621(25)1813534616(13)3019(18)2217(23)102720(24)12781415(912)29112814h79H261011H21H3(H2223)
MFCD05303260
ZINC000003436736
ZINC03436736
ZINC3436736
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Check stock on Vitas-MAvailable files
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