Vitas-M small molecule compound
ethyl 2-[({[4-(2,5-dioxopyrrolidin-1-yl)phenyl]carbonyl}carbamothioyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK107965
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)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 C28H33N3O5S2 MW 555.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5S2/c1-5-28(3,4)17-9-12-19-20(15-17)38-25(23(19)26(35)36-6-2)30-27(37)29-24(34)16-7-10-18(11-8-16)31-21(32)13-14-22(31)33/h7-8,10-11,17H,5-6,9,12-15H2,1-4H3,(H2,29,30,34,37)InChIKey
IKKMERPVIRYEMT-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
ethyl2((((4(25dioxopyrrolidin1yl)phenyl)carbonyl)carbamothioyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4(25dioxopyrrolidin1yl)benzoyl)carbamothioylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H33N3O5S2c1528(34)179121920(1517)3825(23(19)26(35)3662)3027(37)2924(34)1671018(11816)3121(32)131422(31)33h78101117H5691215H214H3(H229303437)
MFCD03065029
ZINC000097940075
ZINC000097940076
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