Vitas-M small molecule compound
ethyl 2-({[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK426040
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cc(Br)cc3)c2ccc(cc2)C(C)(C)C)sc2c1CCC(C2)CC
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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 C33H35BrN2O3S MW 619.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35BrN2O3S/c1-6-19-8-14-23-28(16-19)40-31(29(23)32(38)39-7-2)36-30(37)25-18-27(35-26-15-13-22(34)17-24(25)26)20-9-11-21(12-10-20)33(3,4)5/h9-13,15,17-19H,6-8,14,16H2,1-5H3,(H,36,37)InChIKey
GAYZDGMHQOAELG-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C(C)(C)C
ethyl2(((6bromo2(4tertbutylphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((6bromo2(4tertbutylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC33H35BrN2O3Sc16198142328(1619)4031(29(23)32(38)3972)3630(37)251827(3526151322(34)1724(25)26)2091121(121020)33(34)5h913151719H681416H215H3(H3637)
MFCD02608434
ZINC000008454562
ZINC000008454563
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