Vitas-M small molecule compound
ethyl 2-[({6-bromo-2-[4-(propan-2-yl)phenyl]quinolin-4-yl}carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK426332
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cc(Br)cc3)c2ccc(cc2)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 C32H33BrN2O3S MW 605.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O3S/c1-5-19-7-13-23-28(15-19)39-31(29(23)32(37)38-6-2)35-30(36)25-17-27(21-10-8-20(9-11-21)18(3)4)34-26-14-12-22(33)16-24(25)26/h8-12,14,16-19H,5-7,13,15H2,1-4H3,(H,35,36)InChIKey
MLGXAHHPSQUTKG-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
ethyl2(((6bromo2(4(propan2yl)phenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((6bromo2(4propan2ylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H33BrN2O3Sc15197132328(1519)3931(29(23)32(37)3862)3530(36)251727(2110820(91121)18(3)4)3426141222(33)1624(25)26h812141619H571315H214H3(H3536)
MFCD02374556
ZINC000097948821
ZINC000097948822
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