Vitas-M small molecule compound
ethyl 2-({[2-(4-bromophenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK419321
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)Br)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 C29H27BrN2O3S MW 563.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O3S/c1-3-17-9-14-21-25(15-17)36-28(26(21)29(34)35-4-2)32-27(33)22-16-24(18-10-12-19(30)13-11-18)31-23-8-6-5-7-20(22)23/h5-8,10-13,16-17H,3-4,9,14-15H2,1-2H3,(H,32,33)InChIKey
JPPZTRMSAMSQMU-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br
ethyl2(((2(4bromophenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4bromophenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H27BrN2O3Sc13179142125(1517)3628(26(21)29(34)3542)3227(33)221624(18101219(30)131118)3123865720(22)23h5810131617H3491415H212H3(H3233)
MFCD01351400
ZINC000002083567
ZINC000002083568
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