Vitas-M small molecule compound
ethyl 6-(2-methylbutan-2-yl)-2-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK069812
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cccc3c2cccc3)sc2c1CCC(C2)C(CC)(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 C28H32N2O3S2 MW 508.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O3S2/c1-5-28(3,4)18-14-15-21-22(16-18)35-25(23(21)26(32)33-6-2)30-27(34)29-24(31)20-13-9-11-17-10-7-8-12-19(17)20/h7-13,18H,5-6,14-16H2,1-4H3,(H2,29,30,31,34)InChIKey
XYUCYKWUZOVILI-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc3c2cccc3)sc2c1CCC(C2)C(CC)(C)C
ethyl6(2methylbutan2yl)2(((naphthalen1ylcarbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6(2methylbutan2yl)2(naphthalene1carbonylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H32N2O3S2c1528(34)1814152122(1618)3525(23(21)26(32)3362)3027(34)2924(31)20139111710781219(17)20h71318H561416H214H3(H229303134)
MFCD03064084
STK069812
ZINC000013898443
ZINC000013898446
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