Vitas-M small molecule compound
ethyl 6-(2-methylbutan-2-yl)-2-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK103176
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)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 C25H32N2O3S2 MW 472.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O3S2/c1-6-25(4,5)17-12-13-18-19(14-17)32-22(20(18)23(29)30-7-2)27-24(31)26-21(28)16-10-8-15(3)9-11-16/h8-11,17H,6-7,12-14H2,1-5H3,(H2,26,27,28,31)InChIKey
DMLPRAJLIQYACP-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=C(C=C3)C
ethyl2((4methylbenzoyl)carbamothioylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl6(2methylbutan2yl)2((((4methylphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H32N2O3S2c1625(45)1712131819(1417)3222(20(18)23(29)3072)2724(31)2621(28)1610815(3)91116h81117H671214H215H3(H226272831)
MFCD03064012
ZINC000009762568
ZINC000012463625
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