Vitas-M small molecule compound
methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK332982
SMILES COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(C)(C)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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/c1-22(2,3)13-6-7-14-17(10-13)29-20(18(14)21(25)26-4)23-19(24)12-5-8-15-16(9-12)28-11-27-15/h5,8-9,13H,6-7,10-11H2,1-4H3,(H,23,24)InChIKey
OOOCZQSXSWFSEO-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H25NO5Sc122(23)13671417(1013)2920(18(14)21(25)264)2319(24)12581516(912)28112715h58913H671011H214H3(H2324)
methyl2((13benzodioxol5ylcarbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2(13benzodioxole5carbonylamino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
MFCD02607590
ZINC000000689175
ZINC000000689176
Check stock
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Check stock on Vitas-MAvailable files
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