Vitas-M small molecule compound
ethyl 2-({[6-bromo-2-(4-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK422366
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cc(Br)cc3)c2ccc(cc2)C)sc2c1CCC(C2)C(C)(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/c1-6-38-31(37)28-22-13-11-20(32(3,4)5)15-27(22)39-30(28)35-29(36)24-17-26(19-9-7-18(2)8-10-19)34-25-14-12-21(33)16-23(24)25/h7-10,12,14,16-17,20H,6,11,13,15H2,1-5H3,(H,35,36)InChIKey
NEAZXYGLNYMFMT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C
ethyl2(((6bromo2(4methylphenyl)quinolin4yl)carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((6bromo2(4methylphenyl)quinoline4carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H33BrN2O3Sc163831(37)2822131120(32(34)5)1527(22)3930(28)3529(36)241726(199718(2)81019)3425141221(33)1623(24)25h7101214161720H6111315H215H3(H3536)
MFCD02176004
ZINC000097948818
ZINC000097948819
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