Vitas-M small molecule compound
methyl 6-tert-butyl-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK241585
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC1=NS(=O)(=O)c2c1cccc2
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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 C21H24N2O4S2 MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S2/c1-21(2,3)12-9-10-13-15(11-12)28-19(17(13)20(24)27-4)22-18-14-7-5-6-8-16(14)29(25,26)23-18/h5-8,12H,9-11H2,1-4H3,(H,22,23)InChIKey
HRFDSADGGLZCNG-UHFFFAOYSA-NSynonyms
565192-75-8565192758
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC21H24N2O4S2c121(23)129101315(1112)2819(17(13)20(24)274)221814756816(14)29(2526)2318h5812H911H214H3(H2223)
methyl6tertbutyl2((11dioxido12benzothiazol3yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((11dioxo12benzothiazol3yl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03965789
ZINC000003272720
ZINC000003272722
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