Vitas-M small molecule compound
ethyl 2-{[(3-methylbutanoyl)carbamothioyl]amino}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK024160
SMILES CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)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 C22H34N2O3S2 MW 438.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O3S2/c1-7-22(5,6)14-9-10-15-16(12-14)29-19(18(15)20(26)27-8-2)24-21(28)23-17(25)11-13(3)4/h13-14H,7-12H2,1-6H3,(H2,23,24,25,28)InChIKey
UTDJRPYAIZCFPS-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)CC(C)C
CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CCC(C2)C(CC)(C)C
ethyl2(((3methylbutanoyl)carbamothioyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3methylbutanoylcarbamothioylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H34N2O3S2c1722(56)149101516(1214)2919(18(15)20(26)2782)2421(28)2317(25)1113(3)4h1314H712H216H3(H223242528)
MFCD03062705
STK024160
ZINC000009113069
ZINC000013940543
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