Vitas-M small molecule compound
methyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK430548
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cc(Br)cc3)c2cccc(c2)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 C32H33BrN2O3S MW 605.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O3S/c1-6-32(3,4)20-10-12-22-27(15-20)39-30(28(22)31(37)38-5)35-29(36)24-17-26(19-9-7-8-18(2)14-19)34-25-13-11-21(33)16-23(24)25/h7-9,11,13-14,16-17,20H,6,10,12,15H2,1-5H3,(H,35,36)InChIKey
WSTLACGMAUDKFL-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C
InChI=1SC32H33BrN2O3Sc1632(34)2010122227(1520)3930(28(22)31(37)385)3529(36)241726(1997818(2)1419)3425131121(33)1623(24)25h79111314161720H6101215H215H3(H3536)
methyl2(((6bromo2(3methylphenyl)quinolin4yl)carbonyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2((6bromo2(3methylphenyl)quinoline4carbonyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD03465445
ZINC000097948823
ZINC000097948824
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